Compuestos organoheterocíclicos
Compuestos organoheterocíclicos
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3-Aminoftalhidracida, 98 %, Thermo Scientific Chemicals
CAS: 521-31-3 Fórmula molecular: C8H7N3O2 Peso molecular (g/mol): 177.163 Número MDL: MFCD00006890 Clave InChI: HWYHZTIRURJOHG-UHFFFAOYSA-N Sinónimo: luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide PubChem CID: 10638 Nombre IUPAC: 5-amino-2,3-dihidroftalacina-1,4-diona SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
Sinónimo | luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide |
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Clave InChI | HWYHZTIRURJOHG-UHFFFAOYSA-N |
PubChem CID | 10638 |
Fórmula molecular | C8H7N3O2 |
CAS | 521-31-3 |
Peso molecular (g/mol) | 177.163 |
Número MDL | MFCD00006890 |
SMILES | C1=CC2=C(C(=C1)N)C(=O)NNC2=O |
Nombre IUPAC | 5-amino-2,3-dihidroftalacina-1,4-diona |
Cafeína, 99 %, Thermo Scientific Chemicals
CAS: 58-08-2 Fórmula molecular: C8H10N4O2 Peso molecular (g/mol): 194.19 Número MDL: MFCD00005758 Clave InChI: RYYVLZVUVIJVGH-UHFFFAOYSA-N Sinónimo: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
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Sinónimo | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
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Clave InChI | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
PubChem CID | 2519 |
Fórmula molecular | C8H10N4O2 |
CAS | 58-08-2 |
ChEBI | CHEBI:27732 |
Peso molecular (g/mol) | 194.19 |
Número MDL | MFCD00005758 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
Pirrol, 99 %, extra pura, Thermo Scientific Chemicals
CAS: 109-97-7 Fórmula molecular: C4H5N Peso molecular (g/mol): 67.09 Número MDL: MFCD00005216 Clave InChI: KAESVJOAVNADME-UHFFFAOYSA-N Sinónimo: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 Nombre IUPAC: 1H-pirrol SMILES: N1C=CC=C1
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Sinónimo | pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c |
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Clave InChI | KAESVJOAVNADME-UHFFFAOYSA-N |
PubChem CID | 8027 |
Fórmula molecular | C4H5N |
CAS | 109-97-7 |
ChEBI | CHEBI:19203 |
Peso molecular (g/mol) | 67.09 |
Número MDL | MFCD00005216 |
SMILES | N1C=CC=C1 |
Nombre IUPAC | 1H-pirrol |
D-(+)-Biotina, ≥98 %, Thermo Scientific Chemicals
CAS: 58-85-5 Fórmula molecular: C10H16N2O3S Peso molecular (g/mol): 244.31 Número MDL: MFCD00005541 Clave InChI: YBJHBAHKTGYVGT-UHFFFAOYNA-N Sinónimo: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 Nombre IUPAC: ácido 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahidrotieno[3,4-d]imidazol-4-il]pentanoico SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
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Sinónimo | biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin |
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Clave InChI | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
PubChem CID | 171548 |
Fórmula molecular | C10H16N2O3S |
CAS | 58-85-5 |
ChEBI | CHEBI:15956 |
Peso molecular (g/mol) | 244.31 |
Número MDL | MFCD00005541 |
SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
Nombre IUPAC | ácido 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahidrotieno[3,4-d]imidazol-4-il]pentanoico |
N-Bromosuccinimida, + 99 %, Thermo Scientific Chemicals
CAS: 128-08-5 Número MDL: MFCD00005510 Clave InChI: PCLIMKBDDGJMGD-UHFFFAOYSA-N Sinónimo: n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide PubChem CID: 67184 ChEBI: CHEBI:53174 Nombre IUPAC: 1-bromopirrolidina-2,5-diona SMILES: C1CC(=O)N(C1=O)Br
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Sinónimo | n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide |
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Clave InChI | PCLIMKBDDGJMGD-UHFFFAOYSA-N |
PubChem CID | 67184 |
CAS | 128-08-5 |
ChEBI | CHEBI:53174 |
Número MDL | MFCD00005510 |
SMILES | C1CC(=O)N(C1=O)Br |
Nombre IUPAC | 1-bromopirrolidina-2,5-diona |
Anhídrido ftálico, 99 %, Thermo Scientific Chemicals
CAS: 85-44-9 Fórmula molecular: C8H4O3 Peso molecular (g/mol): 148.12 Número MDL: MFCD00005918 Clave InChI: LGRFSURHDFAFJT-UHFFFAOYSA-N Sinónimo: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 SMILES: O=C1OC(=O)C2=CC=CC=C12
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Sinónimo | phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen |
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Clave InChI | LGRFSURHDFAFJT-UHFFFAOYSA-N |
PubChem CID | 6811 |
Fórmula molecular | C8H4O3 |
CAS | 85-44-9 |
ChEBI | CHEBI:36605 |
Peso molecular (g/mol) | 148.12 |
Número MDL | MFCD00005918 |
SMILES | O=C1OC(=O)C2=CC=CC=C12 |
N-Acriloxisucinimida, 99 %, Thermo Scientific Chemicals
CAS: 38862-24-7 Fórmula molecular: C7H7NO4 Peso molecular (g/mol): 169.14 Número MDL: MFCD00078261 Clave InChI: YXMISKNUHHOXFT-UHFFFAOYSA-N Sinónimo: 2,5-dioxopyrrolidin-1-yl acrylate,n-acryloxysuccinimide,n-succinimidyl acrylate,acrylic acid n-hydroxysuccinimide ester,1-acryloyloxy-2,5-pyrrolidinedione,n-acryloyloxysuccinimide,2,5-pyrrolidinedione, 1-1-oxo-2-propenyl oxy,2,5-dioxopyrrolidin-1-yl prop-2-enoate,poly n-acryloxysuccinimide PubChem CID: 181508 Nombre IUPAC: (2,5-dioxopirrolidin-1-il) prop-2-enoato SMILES: C=CC(=O)ON1C(=O)CCC1=O
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Sinónimo | 2,5-dioxopyrrolidin-1-yl acrylate,n-acryloxysuccinimide,n-succinimidyl acrylate,acrylic acid n-hydroxysuccinimide ester,1-acryloyloxy-2,5-pyrrolidinedione,n-acryloyloxysuccinimide,2,5-pyrrolidinedione, 1-1-oxo-2-propenyl oxy,2,5-dioxopyrrolidin-1-yl prop-2-enoate,poly n-acryloxysuccinimide |
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Clave InChI | YXMISKNUHHOXFT-UHFFFAOYSA-N |
PubChem CID | 181508 |
Fórmula molecular | C7H7NO4 |
CAS | 38862-24-7 |
Peso molecular (g/mol) | 169.14 |
Número MDL | MFCD00078261 |
SMILES | C=CC(=O)ON1C(=O)CCC1=O |
Nombre IUPAC | (2,5-dioxopirrolidin-1-il) prop-2-enoato |
Ácido nicotínico, 99,5 %, Thermo Scientific Chemicals
CAS: 59-67-6 Fórmula molecular: C6H5NO2 Peso molecular (g/mol): 123.11 Número MDL: MFCD00006391 Clave InChI: PVNIIMVLHYAWGP-UHFFFAOYSA-N Sinónimo: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 Nombre IUPAC: ácido piridina-3-carboxílico SMILES: OC(=O)C1=CC=CN=C1
Sinónimo | nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil |
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Clave InChI | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
PubChem CID | 938 |
Fórmula molecular | C6H5NO2 |
CAS | 59-67-6 |
ChEBI | CHEBI:15940 |
Peso molecular (g/mol) | 123.11 |
Número MDL | MFCD00006391 |
SMILES | OC(=O)C1=CC=CN=C1 |
Nombre IUPAC | ácido piridina-3-carboxílico |
Imidazol, 99 %, Thermo Scientific Chemicals
CAS: 288-32-4 Fórmula molecular: C3H4N2 Peso molecular (g/mol): 68.08 Número MDL: MFCD00005183 Clave InChI: RAXXELZNTBOGNW-UHFFFAOYSA-N Sinónimo: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 Nombre IUPAC: 1H-imidazole SMILES: N1C=CN=C1
Sinónimo | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
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Clave InChI | RAXXELZNTBOGNW-UHFFFAOYSA-N |
PubChem CID | 795 |
Fórmula molecular | C3H4N2 |
CAS | 288-32-4 |
ChEBI | CHEBI:16069 |
Peso molecular (g/mol) | 68.08 |
Número MDL | MFCD00005183 |
SMILES | N1C=CN=C1 |
Nombre IUPAC | 1H-imidazole |
N-Hidroxisuccinimida, > 98 %, Thermo Scientific Chemicals
CAS: 6066-82-6 Fórmula molecular: C4H5NO3 Peso molecular (g/mol): 115.088 Número MDL: MFCD00005516 Clave InChI: NQTADLQHYWFPDB-UHFFFAOYSA-N Sinónimo: n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 PubChem CID: 80170 Nombre IUPAC: 1-hidroxipirrolidina-2,5-diona SMILES: C1CC(=O)N(C1=O)O
Sinónimo | n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 |
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Clave InChI | NQTADLQHYWFPDB-UHFFFAOYSA-N |
PubChem CID | 80170 |
Fórmula molecular | C4H5NO3 |
CAS | 6066-82-6 |
Peso molecular (g/mol) | 115.088 |
Número MDL | MFCD00005516 |
SMILES | C1CC(=O)N(C1=O)O |
Nombre IUPAC | 1-hidroxipirrolidina-2,5-diona |
Vitamina B12, + 98 % (base de peso seco), Thermo Scientific Chemicals
CAS: 68-19-9 Fórmula molecular: C63H89CoN14O14P Peso molecular (g/mol): 1356.396 Número MDL: MFCD00151092 Clave InChI: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Sinónimo: vitamin b12 PubChem CID: 129893524 Nombre IUPAC: (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-1-cyano-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]
Sinónimo | vitamin b12 |
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Clave InChI | AGVAZMGAQJOSFJ-WZHZPDAFSA-M |
PubChem CID | 129893524 |
Fórmula molecular | C63H89CoN14O14P |
CAS | 68-19-9 |
Peso molecular (g/mol) | 1356.396 |
Número MDL | MFCD00151092 |
SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] |
Nombre IUPAC | (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-1-cyano-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate |
Thermo Scientific Chemicals Clorhidrato de tiamina al 98.5-101.5 %
CAS: 67-03-8 Fórmula molecular: C12H17ClN4OS·HCl Peso molecular (g/mol): 337.26 Número MDL: MFCD00012780 Clave InChI: DPJRMOMPQZCRJU-UHFFFAOYSA-M Sinónimo: hidrocloruro de tiamina,bidrocloruro de vitamina b1,hcl de tiamina,hidrocloruro de anorina,berina,clorhidrato de cloruro de tiamina,cloruro de tiamina,dicloruro de tiamina,cloruro de tiaminio,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 Nombre IUPAC: 2-[3-[(4-amino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanol;cloruro;clorhidrato SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Sinónimo | hidrocloruro de tiamina,bidrocloruro de vitamina b1,hcl de tiamina,hidrocloruro de anorina,berina,clorhidrato de cloruro de tiamina,cloruro de tiamina,dicloruro de tiamina,cloruro de tiaminio,thiaminium chloride |
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Clave InChI | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
PubChem CID | 6202 |
Fórmula molecular | C12H17ClN4OS·HCl |
CAS | 67-03-8 |
ChEBI | CHEBI:49105 |
Peso molecular (g/mol) | 337.26 |
Número MDL | MFCD00012780 |
SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
Nombre IUPAC | 2-[3-[(4-amino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanol;cloruro;clorhidrato |
1,3-Dimetil-2-imidazolidinona, 98 %, Thermo Scientific Chemicals
CAS: 80-73-9 Fórmula molecular: C5H10N2O Peso molecular (g/mol): 114.15 Número MDL: MFCD00003188 Clave InChI: CYSGHNMQYZDMIA-UHFFFAOYSA-N Sinónimo: 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea PubChem CID: 6661 Nombre IUPAC: 1,3-dimethylimidazolidin-2-one SMILES: CN1CCN(C)C1=O
Sinónimo | 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea |
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Clave InChI | CYSGHNMQYZDMIA-UHFFFAOYSA-N |
PubChem CID | 6661 |
Fórmula molecular | C5H10N2O |
CAS | 80-73-9 |
Peso molecular (g/mol) | 114.15 |
Número MDL | MFCD00003188 |
SMILES | CN1CCN(C)C1=O |
Nombre IUPAC | 1,3-dimethylimidazolidin-2-one |
Imidazol, + 99 %, cristalino, Thermo Scientific Chemicals
CAS: 288-32-4 Fórmula molecular: C3H4N2 Peso molecular (g/mol): 68.08 Número MDL: MFCD00005183 Clave InChI: RAXXELZNTBOGNW-UHFFFAOYSA-N Sinónimo: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 Nombre IUPAC: 1H-imidazole SMILES: N1C=CN=C1
Sinónimo | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
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Clave InChI | RAXXELZNTBOGNW-UHFFFAOYSA-N |
PubChem CID | 795 |
Fórmula molecular | C3H4N2 |
CAS | 288-32-4 |
ChEBI | CHEBI:16069 |
Peso molecular (g/mol) | 68.08 |
Número MDL | MFCD00005183 |
SMILES | N1C=CN=C1 |
Nombre IUPAC | 1H-imidazole |
Epiclorohidrina, 99 %, Thermo Scientific Chemicals
CAS: 106-89-8 Fórmula molecular: C3H5ClO Peso molecular (g/mol): 92.52 Clave InChI: BRLQWZUYTZBJKN-UHFFFAOYSA-N Sinónimo: epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide PubChem CID: 7835 ChEBI: CHEBI:37144 Nombre IUPAC: 2-(clorometil)oxirano SMILES: C1C(O1)CCl
Sinónimo | epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide |
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Clave InChI | BRLQWZUYTZBJKN-UHFFFAOYSA-N |
PubChem CID | 7835 |
Fórmula molecular | C3H5ClO |
CAS | 106-89-8 |
ChEBI | CHEBI:37144 |
Peso molecular (g/mol) | 92.52 |
SMILES | C1C(O1)CCl |
Nombre IUPAC | 2-(clorometil)oxirano |