AA36272
1261912-55-3 | 3-(3-Benzyloxyphenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AA36274
ChemicalName: 4-(3-Benzyloxyphenyl)-3-methylbenzoic acid
CasNumber: 1261911-97-0
MolecularFormula: C21H18O3
MolecularWeight: 318.3658
MdlNumber: MFCD18322860
Smiles: OC(=O)c1ccc(c(c1)C)c1cccc(c1)OCc1ccccc1
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.9
CatalogNumber:
AA36274
ChemicalName:
4-(3-Benzyloxyphenyl)-3-methylbenzoic acid
CasNumber:
1261911-97-0
MolecularFormula:
C21H18O3
MolecularWeight:
318.3658
MdlNumber:
MFCD18322860
Smiles:
OC(=O)c1ccc(c(c1)C)c1cccc(c1)OCc1ccccc1
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.9
CatalogNumber: AA36275
ChemicalName: 3-(4-Methoxy-3-trifluoromethylphenyl)-5-nitrobenzoic acid
CasNumber: 1261911-36-7
MolecularFormula: C15H10F3NO5
MolecularWeight: 341.2388
MdlNumber: MFCD18322826
Smiles: COc1ccc(cc1C(F)(F)F)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity: 479
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AA36275
ChemicalName:
3-(4-Methoxy-3-trifluoromethylphenyl)-5-nitrobenzoic acid
CasNumber:
1261911-36-7
MolecularFormula:
C15H10F3NO5
MolecularWeight:
341.2388
MdlNumber:
MFCD18322826
Smiles:
COc1ccc(cc1C(F)(F)F)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity:
479
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.8