AA36311
1261914-97-9 | 3-Fluoro-4-(4-hydroxyphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36311
ChemicalName
3-Fluoro-4-(4-hydroxyphenyl)benzoic acid
CasNumber
1261914-97-9
MolecularFormula
C13H9FO3
MolecularWeight
232.2072
MdlNumber
MFCD18319061
Smiles
Oc1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity
274
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AA36311
ChemicalName: 3-Fluoro-4-(4-hydroxyphenyl)benzoic acid
CasNumber: 1261914-97-9
MolecularFormula: C13H9FO3
MolecularWeight: 232.2072
MdlNumber: MFCD18319061
Smiles: Oc1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AA36311
ChemicalName:
3-Fluoro-4-(4-hydroxyphenyl)benzoic acid
CasNumber:
1261914-97-9
MolecularFormula:
C13H9FO3
MolecularWeight:
232.2072
MdlNumber:
MFCD18319061
Smiles:
Oc1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccccc1C(N=Cc1ccccc1[N+](=O)[O-])N=Cc1ccccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][N+](=O)c1ccccc1C(N=Cc1ccccc1[N+](=O)[O-])N=Cc1ccccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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:
__