Friday, July 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-bromo-2-chloro-ethane
CAS Name: 1-bromo-2-chloroethane
IUPAC NAME: 1-bromo-2-chloroethane
SYSTEMATIC NAME: 1-bromanyl-2-chloranyl-ethane
MOLECULAR FORMULA: C2H4BrCl
MOLECULAR WEIGHT: 143.41016
SMILES: C(CBr)Cl
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Product OPENEYE NAME: 3-chloroprop-1-ene
CAS Name: 3-chloro-1-propene
IUPAC NAME: 3-chloroprop-1-ene
SYSTEMATIC NAME: 3-chloranylprop-1-ene
MOLECULAR FORMULA: C3H5Cl
MOLECULAR WEIGHT: 76.5248
SMILES: C=CCCl
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Product OPENEYE NAME: 2-bromoethanamine
CAS Name: 2-bromoethanamine
IUPAC NAME: 2-bromoethanamine
SYSTEMATIC NAME: 2-bromanylethanamine
MOLECULAR FORMULA: C2H6BrN
MOLECULAR WEIGHT: 123.97974
SMILES: C(CBr)N
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Product OPENEYE NAME: propan-1-amine
CAS Name: 1-propanamine
IUPAC NAME: propan-1-amine
SYSTEMATIC NAME: propan-1-amine
MOLECULAR FORMULA: C3H9N
MOLECULAR WEIGHT: 59.11026
SMILES: CCCN
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Product OPENEYE NAME: prop-2-en-1-amine
CAS Name: 2-propen-1-amine
IUPAC NAME: prop-2-en-1-amine
SYSTEMATIC NAME: prop-2-en-1-amine
MOLECULAR FORMULA: C3H7N
MOLECULAR WEIGHT: 57.09438
SMILES: C=CCN
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Product OPENEYE NAME: propanenitrile
CAS Name: propanenitrile
IUPAC NAME: propanenitrile
SYSTEMATIC NAME: propanenitrile
MOLECULAR FORMULA: C3H5N
MOLECULAR WEIGHT: 55.0785
SMILES: CCC#N
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Product OPENEYE NAME: prop-2-enenitrile
CAS Name: 2-propenenitrile
IUPAC NAME: prop-2-enenitrile
SYSTEMATIC NAME: prop-2-enenitrile
MOLECULAR FORMULA: C3H3N
MOLECULAR WEIGHT: 53.06262
SMILES: C=CC#N
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Product OPENEYE NAME: 2-chloroacetonitrile
CAS Name: 2-chloroacetonitrile
IUPAC NAME: 2-chloroacetonitrile
SYSTEMATIC NAME: 2-chloranylethanenitrile
MOLECULAR FORMULA: C2H2ClN
MOLECULAR WEIGHT: 75.49698
SMILES: C(C#N)Cl
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Product OPENEYE NAME: 2-hydroxyacetonitrile
CAS Name: 2-hydroxyacetonitrile
IUPAC NAME: 2-hydroxyacetonitrile
SYSTEMATIC NAME: 2-oxidanylethanenitrile
MOLECULAR FORMULA: C2H3NO
MOLECULAR WEIGHT: 57.05132
SMILES: C(C#N)O
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Product OPENEYE NAME: prop-2-en-1-ol
CAS Name: 2-propen-1-ol
IUPAC NAME: prop-2-en-1-ol
SYSTEMATIC NAME: prop-2-en-1-ol
MOLECULAR FORMULA: C3H6O
MOLECULAR WEIGHT: 58.07914
SMILES: C=CCO
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Product OPENEYE NAME: prop-2-yn-1-ol
CAS Name: 2-propyn-1-ol
IUPAC NAME: prop-2-yn-1-ol
SYSTEMATIC NAME: prop-2-yn-1-ol
MOLECULAR FORMULA: C3H4O
MOLECULAR WEIGHT: 56.06326
SMILES: C#CCO
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Product OPENEYE NAME: oxaldehyde
CAS Name: oxaldehyde
IUPAC NAME: oxaldehyde
SYSTEMATIC NAME: ethanedial
MOLECULAR FORMULA: C2H2O2
MOLECULAR WEIGHT: 58.03608
SMILES: C(=O)C=O
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Product OPENEYE NAME: methoxyethylene
CAS Name: methoxyethene
IUPAC NAME: methoxyethene
SYSTEMATIC NAME: methoxyethene
MOLECULAR FORMULA: C3H6O
MOLECULAR WEIGHT: 58.07914
SMILES: COC=C
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Product OPENEYE NAME: chloro(ethyl)mercury
CAS Name: chloro(ethyl)mercury
IUPAC NAME: chloro(ethyl)mercury
SYSTEMATIC NAME: chloranyl(ethyl)mercury
MOLECULAR FORMULA: C2H5ClHg
MOLECULAR WEIGHT: 265.1041
SMILES: CC[Hg]Cl
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Product OPENEYE NAME: acetaldehyde oxime
CAS Name: acetaldehyde oxime
IUPAC NAME: N-ethylidenehydroxylamine
SYSTEMATIC NAME: N-ethylidenehydroxylamine
MOLECULAR FORMULA: C2H5NO
MOLECULAR WEIGHT: 59.0672
SMILES: CC=NO
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Product OPENEYE NAME: chloro(methoxy)methane
CAS Name: chloro(methoxy)methane
IUPAC NAME: chloro(methoxy)methane
SYSTEMATIC NAME: chloranyl(methoxy)methane
MOLECULAR FORMULA: C2H5ClO
MOLECULAR WEIGHT: 80.5135
SMILES: COCCl
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Product OPENEYE NAME: methyl formate
CAS Name: formic acid methyl ester
IUPAC NAME: methyl formate
SYSTEMATIC NAME: methyl methanoate
MOLECULAR FORMULA: C2H4O2
MOLECULAR WEIGHT: 60.05196
SMILES: COC=O
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Product OPENEYE NAME: 2-hydroxyethanesulfonic acid
CAS Name: 2-hydroxyethanesulfonic acid
IUPAC NAME: 2-hydroxyethanesulfonic acid
SYSTEMATIC NAME: 2-oxidanylethanesulfonic acid
MOLECULAR FORMULA: C2H6O4S
MOLECULAR WEIGHT: 126.13164
SMILES: C(CS(=O)(=O)O)O
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Product OPENEYE NAME: allyl(trichloro)silane
CAS Name: trichloro(prop-2-enyl)silane
IUPAC NAME: trichloro(prop-2-enyl)silane
SYSTEMATIC NAME: tris(chloranyl)-prop-2-enyl-silane
MOLECULAR FORMULA: C3H5Cl3Si
MOLECULAR WEIGHT: 175.5163
SMILES: C=CC[Si](Cl)(Cl)Cl
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Product OPENEYE NAME: 2,4,4-trimethylpent-1-ene
CAS Name: 2,4,4-trimethyl-1-pentene
IUPAC NAME: 2,4,4-trimethylpent-1-ene
SYSTEMATIC NAME: 2,4,4-trimethylpent-1-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC(=C)CC(C)(C)C
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Product OPENEYE NAME: 2,4,4-trimethylpent-2-ene
CAS Name: 2,4,4-trimethyl-2-pentene
IUPAC NAME: 2,4,4-trimethylpent-2-ene
SYSTEMATIC NAME: 2,4,4-trimethylpent-2-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC(=CC(C)(C)C)C
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Product OPENEYE NAME: 2-methylpentane-2,4-diol
CAS Name: 2-methylpentane-2,4-diol
IUPAC NAME: 2-methylpentane-2,4-diol
SYSTEMATIC NAME: 2-methylpentane-2,4-diol
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CC(CC(C)(C)O)O
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Product OPENEYE NAME: 2-[fluoro(methyl)phosphoryl]oxypropane
CAS Name: 2-[fluoro(methyl)phosphoryl]oxypropane
IUPAC NAME: 2-[fluoro(methyl)phosphoryl]oxypropane
SYSTEMATIC NAME: 2-[fluoranyl(methyl)phosphoryl]oxypropane
MOLECULAR FORMULA: C4H10FO2P
MOLECULAR WEIGHT: 140.093164
SMILES: CC(C)OP(=O)(C)F
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