AA36373
1261946-59-1 | 4-(4-Formylphenyl)-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36373
ChemicalName
4-(4-Formylphenyl)-2-nitrobenzoic acid
CasNumber
1261946-59-1
MolecularFormula
C14H9NO5
MolecularWeight
271.225
MdlNumber
MFCD18319259
Smiles
O=Cc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])C(=O)O
Complexity
384
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AA36373
ChemicalName: 4-(4-Formylphenyl)-2-nitrobenzoic acid
CasNumber: 1261946-59-1
MolecularFormula: C14H9NO5
MolecularWeight: 271.225
MdlNumber: MFCD18319259
Smiles: O=Cc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])C(=O)O
Complexity: 384
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA36373
ChemicalName:
4-(4-Formylphenyl)-2-nitrobenzoic acid
CasNumber:
1261946-59-1
MolecularFormula:
C14H9NO5
MolecularWeight:
271.225
MdlNumber:
MFCD18319259
Smiles:
O=Cc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])C(=O)O
Complexity:
384
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: AA36374
ChemicalName: 4-(3-Chloro-4-methoxyphenyl)-3-fluorophenol
CasNumber: 1261946-56-8
MolecularFormula: C13H10ClFO2
MolecularWeight: 252.6687
MdlNumber: MFCD18313911
Smiles: COc1ccc(cc1Cl)c1ccc(cc1F)O
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA36374
ChemicalName:
4-(3-Chloro-4-methoxyphenyl)-3-fluorophenol
CasNumber:
1261946-56-8
MolecularFormula:
C13H10ClFO2
MolecularWeight:
252.6687
MdlNumber:
MFCD18313911
Smiles:
COc1ccc(cc1Cl)c1ccc(cc1F)O
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36376
ChemicalName: 5-(3-Fluoro-4-methylphenyl)nicotinic acid
CasNumber: 1261946-42-2
MolecularFormula: C13H10FNO2
MolecularWeight: 231.2224
MdlNumber: MFCD18317023
Smiles: OC(=O)c1cncc(c1)c1ccc(c(c1)F)C
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AA36376
ChemicalName:
5-(3-Fluoro-4-methylphenyl)nicotinic acid
CasNumber:
1261946-42-2
MolecularFormula:
C13H10FNO2
MolecularWeight:
231.2224
MdlNumber:
MFCD18317023
Smiles:
OC(=O)c1cncc(c1)c1ccc(c(c1)F)C
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5