(5-chloro-2-fluorophenyl)methanol

• ChemBase ID: 93051
• Molecular Formular: C7H6ClFO
• Molecular Mass: 160.5733432
• Monoisotopic Mass: 160.00912071
• SMILES: OCc1c(ccc(c1)Cl)F
• Canonical SMILES: OCc1cc(Cl)ccc1F
• InChI: InChI=1S/C7H6ClFO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
• InChIKey: GTHWNKHWLSRSNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloro-2-fluorophenyl)methanol
• IUPAC Traditional name: (5-chloro-2-fluorophenyl)methanol
• Synonyms: 5-Chloro-2-fluorobenzyl alcohol 97%; 5-Chloro-2-fluorobenzyl alcohol

Database IDs

• CAS Number: 188723-58-2
• MDL Number: MFCD01631436
• PubChem SID: 162079749
• PubChem CID: 2773613

CALCULATED PROPERTIES

• Acid pKa: 14.415537
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9526427
• LogD (pH = 7.4): 1.9526426
• Log P: 1.9526427
• Molar Refractivity: 37.8951 cm^3
• Polarizability: 14.392615 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant