(6-chloro-2,3-difluorophenyl)methanol

• ChemBase ID: 810620
• Molecular Formular: C7H5ClF2O
• Molecular Mass: 178.5638064
• Monoisotopic Mass: 177.9996989
• SMILES: C(O)c1c(c(ccc1Cl)F)F
• Canonical SMILES: OCc1c(Cl)ccc(c1F)F
• InChI: InChI=1S/C7H5ClF2O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2,11H,3H2
• InChIKey: QOCZAGKTHBSPMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloro-2,3-difluorophenyl)methanol
• IUPAC Traditional name: (6-chloro-2,3-difluorophenyl)methanol
• Synonyms: 6-CHLORO-2,3-DIFLUOROBENZENEMETHANOL

CALCULATED PROPERTIES

• Acid pKa: 14.092286
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0953445
• LogD (pH = 7.4): 2.0953445
• Log P: 2.0953445
• Molar Refractivity: 38.1115 cm^3
• Polarizability: 14.236415 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%