AA36315
1261931-45-6 | 3-(4-Carboxyphenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36315
ChemicalName
3-(4-Carboxyphenyl)-5-nitrobenzoic acid
CasNumber
1261931-45-6
MolecularFormula
C14H9NO6
MolecularWeight
287.2244
MdlNumber
MFCD18320292
Smiles
[O-][N+](=O)c1cc(cc(c1)c1ccc(cc1)C(=O)O)C(=O)O
Complexity
424
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AA36315
ChemicalName: 3-(4-Carboxyphenyl)-5-nitrobenzoic acid
CasNumber: 1261931-45-6
MolecularFormula: C14H9NO6
MolecularWeight: 287.2244
MdlNumber: MFCD18320292
Smiles: [O-][N+](=O)c1cc(cc(c1)c1ccc(cc1)C(=O)O)C(=O)O
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA36315
ChemicalName:
3-(4-Carboxyphenyl)-5-nitrobenzoic acid
CasNumber:
1261931-45-6
MolecularFormula:
C14H9NO6
MolecularWeight:
287.2244
MdlNumber:
MFCD18320292
Smiles:
[O-][N+](=O)c1cc(cc(c1)c1ccc(cc1)C(=O)O)C(=O)O
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1)c1ccc(cc1)C(=O)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cc(c1)c1ccc(cc1)C(=O)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)c1cccc(c1C)C(=O)O
Complexity: 271
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)c1cccc(c1C)C(=O)O
Complexity:
271
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1
CatalogNumber: AA36321
ChemicalName: 4-Chloro-2-(4-formylphenyl)benzoic acid
CasNumber: 1261929-46-7
MolecularFormula: C14H9ClO3
MolecularWeight: 260.6725
MdlNumber: MFCD18319256
Smiles: O=Cc1ccc(cc1)c1cc(Cl)ccc1C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AA36321
ChemicalName:
4-Chloro-2-(4-formylphenyl)benzoic acid
CasNumber:
1261929-46-7
MolecularFormula:
C14H9ClO3
MolecularWeight:
260.6725
MdlNumber:
MFCD18319256
Smiles:
O=Cc1ccc(cc1)c1cc(Cl)ccc1C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5