AC10219
868656-97-7 | 1H-Indole-3-carboxylic acid,6-bromo-,methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AC10219
ChemicalName
1H-Indole-3-carboxylic acid,6-bromo-,methyl ester
CasNumber
868656-97-7
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08001999999996
MdlNumber
MFCD09836005
Smiles
COC(=O)c1c[nH]c2c1ccc(c2)Br
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AC10219
ChemicalName: 1H-Indole-3-carboxylic acid,6-bromo-,methyl ester
CasNumber: 868656-97-7
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08001999999996
MdlNumber: MFCD09836005
Smiles: COC(=O)c1c[nH]c2c1ccc(c2)Br
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AC10219
ChemicalName:
1H-Indole-3-carboxylic acid,6-bromo-,methyl ester
CasNumber:
868656-97-7
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08001999999996
MdlNumber:
MFCD09836005
Smiles:
COC(=O)c1c[nH]c2c1ccc(c2)Br
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: NC(=O)c1cc(n[nH]c1=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NC(=O)c1cc(n[nH]c1=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: OC(=O)c1ccc(nc1)c1cscc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OC(=O)c1ccc(nc1)c1cscc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)F)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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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:
OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)F)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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