AB53210
92-89-7 | 4-(4-Nitrophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB53210
ChemicalName
4-(4-Nitrophenyl)benzoic acid
CasNumber
92-89-7
MolecularFormula
C13H9NO4
MolecularWeight
243.2149
MdlNumber
MFCD00043911
Smiles
OC(=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
NscNumber
210796
Complexity
309
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AB53210
ChemicalName: 4-(4-Nitrophenyl)benzoic acid
CasNumber: 92-89-7
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD00043911
Smiles: OC(=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
NscNumber: 210796
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AB53210
ChemicalName:
4-(4-Nitrophenyl)benzoic acid
CasNumber:
92-89-7
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD00043911
Smiles:
OC(=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
NscNumber:
210796
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
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Smiles: NC(=O)[C@H](Cc1ccc(c(c1)O)O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
NC(=O)[C@H](Cc1ccc(c(c1)O)O)N
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Smiles: N#Cc1cc2c(n1Cc1c[nH]nc1)cc(c(c2)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F)O
NscNumber: __
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MolecularFormula:
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Smiles:
N#Cc1cc2c(n1Cc1c[nH]nc1)cc(c(c2)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F)O
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H](c1ccc(cc1)Cl)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H](c1ccc(cc1)Cl)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__