2,4-dibromo-6-phenylphenol

• ChemBase ID: 137975
• Molecular Formular: C12H8Br2O
• Molecular Mass: 327.99932
• Monoisotopic Mass: 325.89418888
• SMILES: c1ccc(cc1)c1cc(cc(c1O)Br)Br
• Canonical SMILES: Brc1cc(Br)c(c(c1)c1ccccc1)O
• InChI: InChI=1S/C12H8Br2O/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7,15H
• InChIKey: FLAJYIKIPQZYAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-6-phenylphenol
• IUPAC Traditional name: 2,4-dibromo-6-phenylphenol
• Synonyms: 2,4-Dibromo-6-phenylphenol; 2,4-二溴-6-苯基苯酚

Database IDs

• CAS Number: 55815-20-8
• MDL Number: MFCD00009714
• PubChem SID: 162232234
• PubChem CID: 262352

CALCULATED PROPERTIES

• Acid pKa: 7.4403815
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.849493
• LogD (pH = 7.4): 4.575906
• Log P: 4.854411
• Molar Refractivity: 68.4207 cm^3
• Polarizability: 27.40386 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C12H8Br2O