AB34993
28737-33-9 | 3-Bromoindole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB34993
ChemicalName
3-Bromoindole-2-carboxylic acid
CasNumber
28737-33-9
MolecularFormula
C9H6BrNO2
MolecularWeight
240.0534
MdlNumber
MFCD02710285
Smiles
OC(=O)c1[nH]c2c(c1Br)cccc2
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB34993
ChemicalName: 3-Bromoindole-2-carboxylic acid
CasNumber: 28737-33-9
MolecularFormula: C9H6BrNO2
MolecularWeight: 240.0534
MdlNumber: MFCD02710285
Smiles: OC(=O)c1[nH]c2c(c1Br)cccc2
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB34993
ChemicalName:
3-Bromoindole-2-carboxylic acid
CasNumber:
28737-33-9
MolecularFormula:
C9H6BrNO2
MolecularWeight:
240.0534
MdlNumber:
MFCD02710285
Smiles:
OC(=O)c1[nH]c2c(c1Br)cccc2
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.6
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Smiles: OC(=O)c1[nH]c2c(c1Cl)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)c1[nH]c2c(c1Cl)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: [O-]C(=CC(=O)C)C(F)(F)F.[O-]C(=CC(=O)C)C(F)(F)F.[O-]C(=CC(=O)C)C(F)(F)F.[Fe+3]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[O-]C(=CC(=O)C)C(F)(F)F.[O-]C(=CC(=O)C)C(F)(F)F.[O-]C(=CC(=O)C)C(F)(F)F.[Fe+3]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Fc1ccc(c2c1C(=O)c1ccccc1C2=O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Fc1ccc(c2c1C(=O)c1ccccc1C2=O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__