1-bromo-3-[(E)-2-bromoethenyl]benzene

• ChemBase ID: 801917
• Molecular Formular: C8H6Br2
• Molecular Mass: 261.94124
• Monoisotopic Mass: 259.88362419
• SMILES: c1(cc(ccc1)/C=C/Br)Br
• Canonical SMILES: Br/C=C/c1cccc(c1)Br
• InChI: InChI=1S/C8H6Br2/c9-5-4-7-2-1-3-8(10)6-7/h1-6H/b5-4+
• InChIKey: YMTNXAURZFGPPZ-SNAWJCMRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-[(E)-2-bromoethenyl]benzene
• IUPAC Traditional name: 1-bromo-3-[(E)-2-bromoethenyl]benzene
• Synonyms: 1-BROMO-3-[(E)-2-BROMOVINYL]BENZENE

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.960606
• LogD (pH = 7.4): 3.960606
• Log P: 3.960606
• Molar Refractivity: 50.9867 cm^3
• Polarizability: 19.468454 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%