(4-bromo-2-chlorophenyl)methanol

• ChemBase ID: 275397
• Molecular Formular: C7H6BrClO
• Molecular Mass: 221.47894
• Monoisotopic Mass: 219.92905449
• SMILES: c1(c(ccc(c1)Br)CO)Cl
• Canonical SMILES: OCc1ccc(cc1Cl)Br
• InChI: InChI=1S/C7H6BrClO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
• InChIKey: PAQVZCDJJABVMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-2-chlorophenyl)methanol
• IUPAC Traditional name: (4-bromo-2-chlorophenyl)methanol
• Synonyms: (4-bromo-2-chlorophenyl)methanol

Database IDs

• MDL Number: MFCD12065643
• PubChem SID: 164331307
• PubChem CID: 43805739

CALCULATED PROPERTIES

• Log P: 2.5786934
• Molar Refractivity: 45.3015 cm^3
• Polarizability: 17.577812 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.695133
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5786934
• LogD (pH = 7.4): 2.5786934

PROPERTIES

Physical Property

• Melting Point: 70 - 72°C
• Hydrophobicity(logP): 2.68

Product Information

• Purity: 95%