1-bromo-3-(3-bromophenyl)benzene

• ChemBase ID: 180379
• Molecular Formular: C12H8Br2
• Molecular Mass: 311.99992
• Monoisotopic Mass: 309.89927426
• SMILES: c1(cc(ccc1)c1cc(ccc1)Br)Br
• Canonical SMILES: Brc1cccc(c1)c1cccc(c1)Br
• InChI: InChI=1S/C12H8Br2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
• InChIKey: LPLLWKZDMKTEMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(3-bromophenyl)benzene
• IUPAC Traditional name: 1-bromo-3-(3-bromophenyl)benzene
• Synonyms: 1-Bromo-3-(3-bromophenyl)benzene

Database IDs

• CAS Number: 16400-51-4
• PubChem SID: 164236289
• PubChem CID: 153987

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: 26.717728 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false