AE62249
1261952-70-8 | 4-Fluoro-3-(2-methylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62249
ChemicalName
4-Fluoro-3-(2-methylphenyl)benzoic acid
CasNumber
1261952-70-8
MolecularFormula
C14H11FO2
MolecularWeight
230.2343
MdlNumber
MFCD18318913
Smiles
OC(=O)c1ccc(c(c1)c1ccccc1C)F
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AE62249
ChemicalName: 4-Fluoro-3-(2-methylphenyl)benzoic acid
CasNumber: 1261952-70-8
MolecularFormula: C14H11FO2
MolecularWeight: 230.2343
MdlNumber: MFCD18318913
Smiles: OC(=O)c1ccc(c(c1)c1ccccc1C)F
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AE62249
ChemicalName:
4-Fluoro-3-(2-methylphenyl)benzoic acid
CasNumber:
1261952-70-8
MolecularFormula:
C14H11FO2
MolecularWeight:
230.2343
MdlNumber:
MFCD18318913
Smiles:
OC(=O)c1ccc(c(c1)c1ccccc1C)F
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: AE62250
ChemicalName: 4-Fluoro-3-(naphthalen-1-yl)benzoic acid
CasNumber: 1261913-44-3
MolecularFormula: C17H11FO2
MolecularWeight: 266.2664
MdlNumber: MFCD18321558
Smiles: Fc1ccc(cc1c1cccc2c1cccc2)C(=O)O
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AE62250
ChemicalName:
4-Fluoro-3-(naphthalen-1-yl)benzoic acid
CasNumber:
1261913-44-3
MolecularFormula:
C17H11FO2
MolecularWeight:
266.2664
MdlNumber:
MFCD18321558
Smiles:
Fc1ccc(cc1c1cccc2c1cccc2)C(=O)O
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.4
CatalogNumber: AE62251
ChemicalName: 3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester
CasNumber: 1402238-26-9
MolecularFormula: C13H17BClFO2
MolecularWeight: 270.5353
MdlNumber: MFCD20231468
Smiles: Cc1cc(cc(c1F)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AE62251
ChemicalName:
3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester
CasNumber:
1402238-26-9
MolecularFormula:
C13H17BClFO2
MolecularWeight:
270.5353
MdlNumber:
MFCD20231468
Smiles:
Cc1cc(cc(c1F)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(ccc1c1ccccc1C)C(=O)O
Complexity: 279
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(ccc1c1ccccc1C)C(=O)O
Complexity:
279
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5