AB60880
38985-79-4 | 2-Acetamido-5-bromobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB60880
ChemicalName
2-Acetamido-5-bromobenzoic acid
CasNumber
38985-79-4
MolecularFormula
C9H8BrNO3
MolecularWeight
258.0687
MdlNumber
MFCD00040904
Smiles
CC(=O)Nc1ccc(cc1C(=O)O)Br
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AB60880
ChemicalName: 2-Acetamido-5-bromobenzoic acid
CasNumber: 38985-79-4
MolecularFormula: C9H8BrNO3
MolecularWeight: 258.0687
MdlNumber: MFCD00040904
Smiles: CC(=O)Nc1ccc(cc1C(=O)O)Br
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB60880
ChemicalName:
2-Acetamido-5-bromobenzoic acid
CasNumber:
38985-79-4
MolecularFormula:
C9H8BrNO3
MolecularWeight:
258.0687
MdlNumber:
MFCD00040904
Smiles:
CC(=O)Nc1ccc(cc1C(=O)O)Br
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: COc1cc(C(=O)O)c(cc1[N+](=O)[O-])NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc(C(=O)O)c(cc1[N+](=O)[O-])NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: CC(=O)Nc1cccc(n1)N
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Xlogp3: __
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MolecularWeight:
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Smiles:
CC(=O)Nc1cccc(n1)N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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Smiles: CC(=O)Nc1cccc(c1C(=O)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1cccc(c1C(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__