AC98041
91714-94-2 | 2-{2-amino-3-[(4-bromophenyl)carbonyl]phenyl}acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AC98041
ChemicalName
2-{2-amino-3-[(4-bromophenyl)carbonyl]phenyl}acetic acid
CasNumber
91714-94-2
MolecularFormula
C15H12BrNO3
MolecularWeight
334.16468
MdlNumber
MFCD00864341
Smiles
OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br
Complexity
366
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AC98041
ChemicalName: 2-{2-amino-3-[(4-bromophenyl)carbonyl]phenyl}acetic acid
CasNumber: 91714-94-2
MolecularFormula: C15H12BrNO3
MolecularWeight: 334.16468
MdlNumber: MFCD00864341
Smiles: OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AC98041
ChemicalName:
2-{2-amino-3-[(4-bromophenyl)carbonyl]phenyl}acetic acid
CasNumber:
91714-94-2
MolecularFormula:
C15H12BrNO3
MolecularWeight:
334.16468
MdlNumber:
MFCD00864341
Smiles:
OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
3.3
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Smiles: CC(=C)C[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
CC(=C)C[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
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Smiles: OC(=O)[C@H](c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity: __
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Smiles:
OC(=O)[C@H](c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=CCCN(C(=O)OC(C)(C)C)C1CCCCC1
Complexity: __
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MolecularFormula:
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Smiles:
O=CCCN(C(=O)OC(C)(C)C)C1CCCCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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