Thursday, July 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1,2,3-tribromopropane
CAS Name: 1,2,3-tribromopropane
IUPAC NAME: 1,2,3-tribromopropane
SYSTEMATIC NAME: 1,2,3-tris(bromanyl)propane
MOLECULAR FORMULA: C3H5Br3
MOLECULAR WEIGHT: 280.7838
SMILES: C(C(CBr)Br)Br
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Product OPENEYE NAME: 1,2-dibromo-3-chloro-propane
CAS Name: 1,2-dibromo-3-chloropropane
IUPAC NAME: 1,2-dibromo-3-chloropropane
SYSTEMATIC NAME: 1,2-bis(bromanyl)-3-chloranyl-propane
MOLECULAR FORMULA: C3H5Br2Cl
MOLECULAR WEIGHT: 236.3328
SMILES: C(C(CBr)Br)Cl
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Product OPENEYE NAME: 2,3-dibromopropan-1-ol
CAS Name: 2,3-dibromo-1-propanol
IUPAC NAME: 2,3-dibromopropan-1-ol
SYSTEMATIC NAME: 2,3-bis(bromanyl)propan-1-ol
MOLECULAR FORMULA: C3H6Br2O
MOLECULAR WEIGHT: 217.88714
SMILES: C(C(CBr)Br)O
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Product OPENEYE NAME: 3-methylpentane
CAS Name: 3-methylpentane
IUPAC NAME: 3-methylpentane
SYSTEMATIC NAME: 3-methylpentane
MOLECULAR FORMULA: C6H14
MOLECULAR WEIGHT: 86.17536
SMILES: CCC(C)CC
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Product OPENEYE NAME: 2-methylbutan-1-amine
CAS Name: 2-methyl-1-butanamine
IUPAC NAME: 2-methylbutan-1-amine
SYSTEMATIC NAME: 2-methylbutan-1-amine
MOLECULAR FORMULA: C5H13N
MOLECULAR WEIGHT: 87.16342
SMILES: CCC(C)CN
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Product OPENEYE NAME: 2-methylbutanal
CAS Name: 2-methylbutanal
IUPAC NAME: 2-methylbutanal
SYSTEMATIC NAME: 2-methylbutanal
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: CCC(C)C=O
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Product OPENEYE NAME: 1,2,3-trichloropropane
CAS Name: 1,2,3-trichloropropane
IUPAC NAME: 1,2,3-trichloropropane
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)propane
MOLECULAR FORMULA: C3H5Cl3
MOLECULAR WEIGHT: 147.4308
SMILES: C(C(CCl)Cl)Cl
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Product OPENEYE NAME: 1,2,3-trichloroprop-1-ene
CAS Name: 1,2,3-trichloro-1-propene
IUPAC NAME: 1,2,3-trichloroprop-1-ene
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)prop-1-ene
MOLECULAR FORMULA: C3H3Cl3
MOLECULAR WEIGHT: 145.41492
SMILES: C(C(=CCl)Cl)Cl
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Product OPENEYE NAME: 1,3-dibromopropan-2-ol
CAS Name: 1,3-dibromo-2-propanol
IUPAC NAME: 1,3-dibromopropan-2-ol
SYSTEMATIC NAME: 1,3-bis(bromanyl)propan-2-ol
MOLECULAR FORMULA: C3H6Br2O
MOLECULAR WEIGHT: 217.88714
SMILES: C(C(CBr)O)Br
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Product OPENEYE NAME: pentan-3-one
CAS Name: 3-pentanone
IUPAC NAME: pentan-3-one
SYSTEMATIC NAME: pentan-3-one
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: CCC(=O)CC
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Product OPENEYE NAME: 1,3-dichloropropan-2-ol
CAS Name: 1,3-dichloro-2-propanol
IUPAC NAME: 1,3-dichloropropan-2-ol
SYSTEMATIC NAME: 1,3-bis(chloranyl)propan-2-ol
MOLECULAR FORMULA: C3H6Cl2O
MOLECULAR WEIGHT: 128.98514
SMILES: C(C(CCl)O)Cl
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Product OPENEYE NAME: 3-chloropropane-1,2-diol
CAS Name: 3-chloropropane-1,2-diol
IUPAC NAME: 3-chloropropane-1,2-diol
SYSTEMATIC NAME: 3-chloranylpropane-1,2-diol
MOLECULAR FORMULA: C3H7ClO2
MOLECULAR WEIGHT: 110.53948
SMILES: C(C(CCl)O)O
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Product OPENEYE NAME: 3-sulfanylpropane-1,2-diol
CAS Name: 3-mercaptopropane-1,2-diol
IUPAC NAME: 3-sulfanylpropane-1,2-diol
SYSTEMATIC NAME: 3-sulfanylpropane-1,2-diol
MOLECULAR FORMULA: C3H8O2S
MOLECULAR WEIGHT: 108.15942
SMILES: C(C(CS)O)O
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Product OPENEYE NAME: butan-2-one oxime
CAS Name: 2-butanone oxime
IUPAC NAME: N-butan-2-ylidenehydroxylamine
SYSTEMATIC NAME: N-butan-2-ylidenehydroxylamine
MOLECULAR FORMULA: C4H9NO
MOLECULAR WEIGHT: 87.12036
SMILES: CCC(=NO)C
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Product OPENEYE NAME: 1,3-dimethylurea
CAS Name: 1,3-dimethylurea
IUPAC NAME: 1,3-dimethylurea
SYSTEMATIC NAME: 1,3-dimethylurea
MOLECULAR FORMULA: C3H8N2O
MOLECULAR WEIGHT: 88.10842
SMILES: CNC(=O)NC
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Product OPENEYE NAME: methyl prop-2-enoate
CAS Name: 2-propenoic acid methyl ester
IUPAC NAME: methyl prop-2-enoate
SYSTEMATIC NAME: methyl prop-2-enoate
MOLECULAR FORMULA: C4H6O2
MOLECULAR WEIGHT: 86.08924
SMILES: COC(=O)C=C
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Product OPENEYE NAME: methyl 2-chloroacetate
CAS Name: 2-chloroacetic acid methyl ester
IUPAC NAME: methyl 2-chloroacetate
SYSTEMATIC NAME: methyl 2-chloranylethanoate
MOLECULAR FORMULA: C3H5ClO2
MOLECULAR WEIGHT: 108.5236
SMILES: COC(=O)CCl
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Product OPENEYE NAME: methylcyclopentane
CAS Name: methylcyclopentane
IUPAC NAME: methylcyclopentane
SYSTEMATIC NAME: methylcyclopentane
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CC1CCCC1
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Product OPENEYE NAME: 3-chlorocyclopentene
CAS Name: 3-chlorocyclopentene
IUPAC NAME: 3-chlorocyclopentene
SYSTEMATIC NAME: 3-chloranylcyclopentene
MOLECULAR FORMULA: C5H7Cl
MOLECULAR WEIGHT: 102.56208
SMILES: C1CC(C=C1)Cl
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