(2R)-2-(2-fluorophenyl)-2-hydroxyacetic acid

• ChemBase ID: 797365
• Molecular Formular: C8H7FO3
• Molecular Mass: 170.1377832
• Monoisotopic Mass: 170.0379223
• SMILES: [C@@H](C(=O)O)(O)c1c(cccc1)F
• Canonical SMILES: OC(=O)[C@@H](c1ccccc1F)O
• InChI: InChI=1S/C8H7FO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
• InChIKey: WWSRHIZZWWDONI-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(2-fluorophenyl)-2-hydroxyacetic acid
• IUPAC Traditional name: (R)-(2-fluorophenyl)(hydroxy)acetic acid
• Synonyms: (R)-2-(2-Fluorophenyl)-2-hydroxyacetic acid

Database IDs

• CAS Number: 32222-48-3

CALCULATED PROPERTIES

• Acid pKa: 3.139498
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2953763
• LogD (pH = 7.4): -2.4169557
• Log P: 1.0385376
• Molar Refractivity: 38.9202 cm^3
• Polarizability: 14.939667 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%