1-(4-bromophenyl)-4-iodobenzene

• ChemBase ID: 289644
• Molecular Formular: C12H8BrI
• Molecular Mass: 359.00039
• Monoisotopic Mass: 357.88541026
• SMILES: Ic1ccc(c2ccc(Br)cc2)cc1
• Canonical SMILES: Brc1ccc(cc1)c1ccc(cc1)I
• InChI: InChI=1S/C12H8BrI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
• InChIKey: GWOAJJWBCSUGHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)-4-iodobenzene; 1-bromo-4-(4-iodophenyl)benzene
• IUPAC Traditional name: 1-(4-bromophenyl)-4-iodobenzene; 1-bromo-4-(4-iodophenyl)benzene
• Synonyms: 4-Bromo-4'-iodo-1,1'-biphenyl; 4-Bromo-4'-iodobiphenyl

Database IDs

• CAS Number: 105946-82-5
• MDL Number: MFCD17676204
• PubChem SID: 180675175
• PubChem CID: 10904452

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.318168
• LogD (pH = 7.4): 5.318168
• Log P: 5.318168
• Molar Refractivity: 72.1795 cm^3
• Polarizability: 29.054893 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%