AA36514
1262011-12-0 | 4-(4-Benzyloxyphenyl)-2-chlorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36514
ChemicalName
4-(4-Benzyloxyphenyl)-2-chlorobenzoic acid
CasNumber
1262011-12-0
MolecularFormula
C20H15ClO3
MolecularWeight
338.7843
MdlNumber
MFCD18322911
Smiles
OC(=O)c1ccc(cc1Cl)c1ccc(cc1)OCc1ccccc1
Complexity
400
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
5.2
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CatalogNumber: AA36514
ChemicalName: 4-(4-Benzyloxyphenyl)-2-chlorobenzoic acid
CasNumber: 1262011-12-0
MolecularFormula: C20H15ClO3
MolecularWeight: 338.7843
MdlNumber: MFCD18322911
Smiles: OC(=O)c1ccc(cc1Cl)c1ccc(cc1)OCc1ccccc1
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 5.2
CatalogNumber:
AA36514
ChemicalName:
4-(4-Benzyloxyphenyl)-2-chlorobenzoic acid
CasNumber:
1262011-12-0
MolecularFormula:
C20H15ClO3
MolecularWeight:
338.7843
MdlNumber:
MFCD18322911
Smiles:
OC(=O)c1ccc(cc1Cl)c1ccc(cc1)OCc1ccccc1
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
5.2
CatalogNumber: AA36515
ChemicalName: 3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid
CasNumber: 1262010-56-9
MolecularFormula: C14H8F4O2
MolecularWeight: 284.2057
MdlNumber: MFCD18319087
Smiles: Fc1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AA36515
ChemicalName:
3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid
CasNumber:
1262010-56-9
MolecularFormula:
C14H8F4O2
MolecularWeight:
284.2057
MdlNumber:
MFCD18319087
Smiles:
Fc1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.1
CatalogNumber: AA36516
ChemicalName: 4-(2-Chloro-4-methylphenyl)-3-fluorobenzoic acid
CasNumber: 1262008-90-1
MolecularFormula: C14H10ClFO2
MolecularWeight: 264.6794
MdlNumber: MFCD18320720
Smiles: Cc1ccc(c(c1)Cl)c1ccc(cc1F)C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AA36516
ChemicalName:
4-(2-Chloro-4-methylphenyl)-3-fluorobenzoic acid
CasNumber:
1262008-90-1
MolecularFormula:
C14H10ClFO2
MolecularWeight:
264.6794
MdlNumber:
MFCD18320720
Smiles:
Cc1ccc(c(c1)Cl)c1ccc(cc1F)C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: COc1ccc(cc1C(F)(F)F)c1ccc(cc1C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
COc1ccc(cc1C(F)(F)F)c1ccc(cc1C)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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