AA36270
1261913-01-2 | 4-(4-Benzyloxyphenyl)-3-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36270
ChemicalName
4-(4-Benzyloxyphenyl)-3-fluorobenzoic acid
CasNumber
1261913-01-2
MolecularFormula
C20H15FO3
MolecularWeight
322.3297
MdlNumber
MFCD18322900
Smiles
OC(=O)c1ccc(c(c1)F)c1ccc(cc1)OCc1ccccc1
Complexity
400
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
4.6
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CatalogNumber: AA36270
ChemicalName: 4-(4-Benzyloxyphenyl)-3-fluorobenzoic acid
CasNumber: 1261913-01-2
MolecularFormula: C20H15FO3
MolecularWeight: 322.3297
MdlNumber: MFCD18322900
Smiles: OC(=O)c1ccc(c(c1)F)c1ccc(cc1)OCc1ccccc1
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.6
CatalogNumber:
AA36270
ChemicalName:
4-(4-Benzyloxyphenyl)-3-fluorobenzoic acid
CasNumber:
1261913-01-2
MolecularFormula:
C20H15FO3
MolecularWeight:
322.3297
MdlNumber:
MFCD18322900
Smiles:
OC(=O)c1ccc(c(c1)F)c1ccc(cc1)OCc1ccccc1
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.6
CatalogNumber: AA36271
ChemicalName: 5-(3-Aminocarbonylphenyl)picolinic acid
CasNumber: 1261912-75-7
MolecularFormula: C13H10N2O3
MolecularWeight: 242.2301
MdlNumber: MFCD18317312
Smiles: NC(=O)c1cccc(c1)c1ccc(nc1)C(=O)O
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AA36271
ChemicalName:
5-(3-Aminocarbonylphenyl)picolinic acid
CasNumber:
1261912-75-7
MolecularFormula:
C13H10N2O3
MolecularWeight:
242.2301
MdlNumber:
MFCD18317312
Smiles:
NC(=O)c1cccc(c1)c1ccc(nc1)C(=O)O
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AA36272
ChemicalName: 3-(3-Benzyloxyphenyl)-5-nitrobenzoic acid
CasNumber: 1261912-55-3
MolecularFormula: C20H15NO5
MolecularWeight: 349.3368
MdlNumber: MFCD18322886
Smiles: OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1cccc(c1)OCc1ccccc1
Complexity: 485
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.4
CatalogNumber:
AA36272
ChemicalName:
3-(3-Benzyloxyphenyl)-5-nitrobenzoic acid
CasNumber:
1261912-55-3
MolecularFormula:
C20H15NO5
MolecularWeight:
349.3368
MdlNumber:
MFCD18322886
Smiles:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1cccc(c1)OCc1ccccc1
Complexity:
485
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.4
CatalogNumber: AA36273
ChemicalName: 4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid
CasNumber: 1261912-21-3
MolecularFormula: C20H15FO3
MolecularWeight: 322.3297
MdlNumber: MFCD18322869
Smiles: OC(=O)c1ccc(c(c1)F)c1cccc(c1)OCc1ccccc1
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.6
CatalogNumber:
AA36273
ChemicalName:
4-(3-Benzyloxyphenyl)-3-fluorobenzoic acid
CasNumber:
1261912-21-3
MolecularFormula:
C20H15FO3
MolecularWeight:
322.3297
MdlNumber:
MFCD18322869
Smiles:
OC(=O)c1ccc(c(c1)F)c1cccc(c1)OCc1ccccc1
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.6