1,4-bis(dibromomethyl)benzene

• ChemBase ID: 80092
• Molecular Formular: C8H6Br4
• Molecular Mass: 421.74924
• Monoisotopic Mass: 417.72029819
• SMILES: BrC(c1ccc(cc1)C(Br)Br)Br
• Canonical SMILES: BrC(c1ccc(cc1)C(Br)Br)Br
• InChI: InChI=1S/C8H6Br4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H
• InChIKey: VIQBABDKNOOCQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(dibromomethyl)benzene
• IUPAC Traditional name: 1,4-bis(dibromomethyl)benzene
• Synonyms: 1,4-di(dibromomethyl)benzene

Database IDs

• CAS Number: 1592-31-0
• MDL Number: MFCD00017857
• PubChem SID: 162067212
• PubChem CID: 74127

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.65392
• LogD (pH = 7.4): 3.65392
• Log P: 3.65392
• Molar Refractivity: 67.1664 cm^3
• Polarizability: 25.793264 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true