2,4-dibromo-1-phenylbenzene

• ChemBase ID: 294132
• Molecular Formular: C12H8Br2
• Molecular Mass: 311.99992
• Monoisotopic Mass: 309.89927426
• SMILES: Brc1ccc(c2ccccc2)c(Br)c1
• Canonical SMILES: Brc1ccc(c(c1)Br)c1ccccc1
• InChI: InChI=1S/C12H8Br2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
• InChIKey: BWVLLEHUUJBZMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-1-phenylbenzene
• IUPAC Traditional name: 2,4-dibromo-1-phenylbenzene
• Synonyms: 2,4-Dibromo-1,1'-biphenyl

Database IDs

• CAS Number: 53592-10-2
• MDL Number: MFCD00152386
• PubChem SID: 180679663
• PubChem CID: 185748

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1579766
• LogD (pH = 7.4): 5.1579766
• Log P: 5.1579766
• Molar Refractivity: 66.4398 cm^3
• Polarizability: 26.7208 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 97%