AI52042
537713-33-0 | 5-Fluoro-2-(4-methylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI52042
ChemicalName
5-Fluoro-2-(4-methylphenyl)benzoic acid
CasNumber
537713-33-0
MolecularFormula
C14H11FO2
MolecularWeight
230.2343
MdlNumber
MFCD12859180
Smiles
Cc1ccc(cc1)c1ccc(cc1C(=O)O)F
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AI52042
ChemicalName: 5-Fluoro-2-(4-methylphenyl)benzoic acid
CasNumber: 537713-33-0
MolecularFormula: C14H11FO2
MolecularWeight: 230.2343
MdlNumber: MFCD12859180
Smiles: Cc1ccc(cc1)c1ccc(cc1C(=O)O)F
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AI52042
ChemicalName:
5-Fluoro-2-(4-methylphenyl)benzoic acid
CasNumber:
537713-33-0
MolecularFormula:
C14H11FO2
MolecularWeight:
230.2343
MdlNumber:
MFCD12859180
Smiles:
Cc1ccc(cc1)c1ccc(cc1C(=O)O)F
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: AI52043
ChemicalName: 5-Fluoro-2-(4-trifluoromethylphenyl)benzoic acid
CasNumber: 537713-35-2
MolecularFormula: C14H8F4O2
MolecularWeight: 284.2057
MdlNumber: MFCD18321786
Smiles: Fc1ccc(c(c1)C(=O)O)c1ccc(cc1)C(F)(F)F
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AI52043
ChemicalName:
5-Fluoro-2-(4-trifluoromethylphenyl)benzoic acid
CasNumber:
537713-35-2
MolecularFormula:
C14H8F4O2
MolecularWeight:
284.2057
MdlNumber:
MFCD18321786
Smiles:
Fc1ccc(c(c1)C(=O)O)c1ccc(cc1)C(F)(F)F
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.1
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Smiles: COC1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)C(=O)O
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Smiles:
COC1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)C(=O)O
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Smiles: OC(=O)c1c(C)cccc1c1ccc(cc1)C(F)(F)F
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)c1c(C)cccc1c1ccc(cc1)C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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