AC12533
87802-11-7 | 5-Chloroindole-2-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AC12533
ChemicalName
5-Chloroindole-2-carboxylic acid methyl ester
CasNumber
87802-11-7
MolecularFormula
C10H8ClNO2
MolecularWeight
209.629
MdlNumber
MFCD04972050
Smiles
COC(=O)c1cc2c([nH]1)ccc(c2)Cl
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AC12533
ChemicalName: 5-Chloroindole-2-carboxylic acid methyl ester
CasNumber: 87802-11-7
MolecularFormula: C10H8ClNO2
MolecularWeight: 209.629
MdlNumber: MFCD04972050
Smiles: COC(=O)c1cc2c([nH]1)ccc(c2)Cl
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AC12533
ChemicalName:
5-Chloroindole-2-carboxylic acid methyl ester
CasNumber:
87802-11-7
MolecularFormula:
C10H8ClNO2
MolecularWeight:
209.629
MdlNumber:
MFCD04972050
Smiles:
COC(=O)c1cc2c([nH]1)ccc(c2)Cl
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
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Smiles: COC(=O)c1nc2c(s1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)c1nc2c(s1)cccc2
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCCCC(=O)/C=C/c1ccc(c(c1)OC)O
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Smiles:
CCCCCCCC(=O)/C=C/c1ccc(c(c1)OC)O
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1cc2c(CCN(C(C)C)C(C)C)c[nH]c2cc1O
Complexity: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc2c(CCN(C(C)C)C(C)C)c[nH]c2cc1O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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