AA97495
18211-41-1 | 2-(4-Nitrophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA97495
ChemicalName
2-(4-Nitrophenyl)benzoic acid
CasNumber
18211-41-1
MolecularFormula
C13H9NO4
MolecularWeight
243.2149
MdlNumber
MFCD00445193
Smiles
[O-][N+](=O)c1ccc(cc1)c1ccccc1C(=O)O
NscNumber
86911
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AA97495
ChemicalName: 2-(4-Nitrophenyl)benzoic acid
CasNumber: 18211-41-1
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD00445193
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccccc1C(=O)O
NscNumber: 86911
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AA97495
ChemicalName:
2-(4-Nitrophenyl)benzoic acid
CasNumber:
18211-41-1
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD00445193
Smiles:
[O-][N+](=O)c1ccc(cc1)c1ccccc1C(=O)O
NscNumber:
86911
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: CC(=O)Nc1ccc(cc1)NCc1cccs1
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=O)Nc1ccc(cc1)NCc1cccs1
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Complexity:
__
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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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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccccc1NCc1cccs1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccccc1NCc1cccs1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)CC1=NCCNC1=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)CC1=NCCNC1=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__