(2,2-dibromoethenyl)benzene

• ChemBase ID: 290416
• Molecular Formular: C8H6Br2
• Molecular Mass: 261.94124
• Monoisotopic Mass: 259.88362419
• SMILES: BrC(=Cc1ccccc1)Br
• Canonical SMILES: BrC(=Cc1ccccc1)Br
• InChI: InChI=1S/C8H6Br2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H
• InChIKey: CYLVUSZHVURAOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dibromoethenyl)benzene
• IUPAC Traditional name: (2,2-dibromoethenyl)benzene
• Synonyms: (2,2-Dibromovinyl)benzene

Database IDs

• CAS Number: 7436-90-0
• PubChem SID: 180675947
• PubChem CID: 161726

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.764382
• LogD (pH = 7.4): 3.764382
• Log P: 3.764382
• Molar Refractivity: 61.3417 cm^3
• Polarizability: 19.409897 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%