2-(2-fluorophenyl)benzoic acid

• ChemBase ID: 310513
• Molecular Formular: C13H9FO2
• Molecular Mass: 216.2077632
• Monoisotopic Mass: 216.05865775
• SMILES: c1(c(C(=O)O)cccc1)c1c(F)cccc1
• Canonical SMILES: OC(=O)c1ccccc1c1ccccc1F
• InChI: InChI=1S/C13H9FO2/c14-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13(15)16/h1-8H,(H,15,16)
• InChIKey: DGATZLSIKFSWDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)benzoic acid
• IUPAC Traditional name: 2-(2-fluorophenyl)benzoic acid
• Synonyms: 2'-fluorobiphenyl-2-carboxylic acid

Database IDs

• CAS Number: 361-92-2
• MDL Number: MFCD05022492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5064467
• LogD (pH = 7.4): 0.07095953
• Log P: 3.420756
• Molar Refractivity: 58.6668 cm^3
• Polarizability: 23.251144 Å^3
• Polar Surface Area: 37.3 Å^2