1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene

• ChemBase ID: 80343
• Molecular Formular: C12H4Br6
• Molecular Mass: 627.58416
• Monoisotopic Mass: 621.54132213
• SMILES: Brc1c(cc(cc1Br)c1cc(c(c(c1)Br)Br)Br)Br
• Canonical SMILES: Brc1cc(cc(c1Br)Br)c1cc(Br)c(c(c1)Br)Br
• InChI: InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
• InChIKey: UXOOFXUEODCAIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene
• IUPAC Traditional name: 1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene
• Synonyms: 3,3',4,4',5,5'-hexabromo-1,1'-biphenyl

Database IDs

• MDL Number: MFCD00152529
• PubChem SID: 162067463
• PubChem CID: 104942

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.232987
• LogD (pH = 7.4): 8.232987
• Log P: 8.232987
• Molar Refractivity: 96.931 cm^3
• Polarizability: 39.202946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false