AB68075
729-01-1 | 4'-Nitrobiphenyl-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68075
ChemicalName
4'-Nitrobiphenyl-3-carboxylic acid
CasNumber
729-01-1
MolecularFormula
C13H9NO4
MolecularWeight
243.2149
MdlNumber
MFCD11895693
Smiles
[O-][N+](=O)c1ccc(cc1)c1cccc(c1)C(=O)O
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AB68075
ChemicalName: 4'-Nitrobiphenyl-3-carboxylic acid
CasNumber: 729-01-1
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD11895693
Smiles: [O-][N+](=O)c1ccc(cc1)c1cccc(c1)C(=O)O
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AB68075
ChemicalName:
4'-Nitrobiphenyl-3-carboxylic acid
CasNumber:
729-01-1
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD11895693
Smiles:
[O-][N+](=O)c1ccc(cc1)c1cccc(c1)C(=O)O
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: AB68076
ChemicalName: 4-(4-Nitrophenyl)phenol
CasNumber: 3916-44-7
MolecularFormula: C12H9NO3
MolecularWeight: 215.20476
MdlNumber: MFCD00047742
Smiles: Oc1ccc(cc1)c1ccc(cc1)N(=O)=O
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AB68076
ChemicalName:
4-(4-Nitrophenyl)phenol
CasNumber:
3916-44-7
MolecularFormula:
C12H9NO3
MolecularWeight:
215.20476
MdlNumber:
MFCD00047742
Smiles:
Oc1ccc(cc1)c1ccc(cc1)N(=O)=O
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(c(c1)N)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(c(c1)N)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cn[nH]c1C(=O)O
Complexity: 188
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cn[nH]c1C(=O)O
Complexity:
188
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1