(2,4-dichloro-5-fluorophenyl)methanol

• ChemBase ID: 8998
• Molecular Formular: C7H5Cl2FO
• Molecular Mass: 195.0184032
• Monoisotopic Mass: 193.97014836
• SMILES: C(O)c1c(Cl)cc(c(c1)F)Cl
• Canonical SMILES: OCc1cc(F)c(cc1Cl)Cl
• InChI: InChI=1S/C7H5Cl2FO/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2,11H,3H2
• InChIKey: JSYAJRDFLAMNMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dichloro-5-fluorophenyl)methanol
• IUPAC Traditional name: (2,4-dichloro-5-fluorophenyl)methanol
• Synonyms: 2,4-Dichloro-5-fluorobenzyl alcohol

Database IDs

• CAS Number: 219765-56-7
• MDL Number: MFCD01631380
• PubChem SID: 160972305
• PubChem CID: 2774017

CALCULATED PROPERTIES

• Acid pKa: 14.527489
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5566874
• LogD (pH = 7.4): 2.5566874
• Log P: 2.5566874
• Molar Refractivity: 42.6999 cm^3
• Polarizability: 16.39289 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false