2-chloro-4-phenylphenol

• ChemBase ID: 108520
• Molecular Formular: C12H9ClO
• Molecular Mass: 204.65226
• Monoisotopic Mass: 204.03419259
• SMILES: Oc1c(Cl)cc(cc1)c1ccccc1
• Canonical SMILES: Oc1ccc(cc1Cl)c1ccccc1
• InChI: InChI=1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
• InChIKey: BZWMYDJJDBFAPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-phenylphenol
• IUPAC Traditional name: 4-phenyl-2-chlorophenol
• Synonyms: 2-CHLORO-4-PHENYLPHENOL PRACTICAL GRADE

Database IDs

• CAS Number: 92-04-6
• PubChem SID: 162094152
• PubChem CID: 7074

CALCULATED PROPERTIES

• Acid pKa: 7.878204
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.919149
• LogD (pH = 7.4): 3.7972846
• Log P: 3.9209507
• Molar Refractivity: 57.9799 cm^3
• Polarizability: 23.791222 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Grade: PRACTICAL

DETAILS

MP Biomedicals - 05207680

MP Biomedicals Rare Chemical collection