1-bromo-3,5-diiodobenzene

• ChemBase ID: 180445
• Molecular Formular: C6H3BrI2
• Molecular Mass: 408.80096
• Monoisotopic Mass: 407.7507581
• SMILES: c1(cc(cc(c1)I)I)Br
• Canonical SMILES: Brc1cc(I)cc(c1)I
• InChI: InChI=1S/C6H3BrI2/c7-4-1-5(8)3-6(9)2-4/h1-3H
• InChIKey: WIKWRDOTWLACTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3,5-diiodobenzene
• IUPAC Traditional name: 1-bromo-3,5-diiodobenzene
• Synonyms: 1-Bromo-3,5-diiodobenzene

Database IDs

• CAS Number: 149428-64-8
• PubChem SID: 164236355
• PubChem CID: 21708799

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5998874
• LogD (pH = 7.4): 4.5998874
• Log P: 4.5998874
• Molar Refractivity: 60.4058 cm^3
• Polarizability: 24.156036 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true