1-bromo-3-(2-iodoethenyl)benzene

• ChemBase ID: 247341
• Molecular Formular: C8H6BrI
• Molecular Mass: 308.94171
• Monoisotopic Mass: 307.86976019
• SMILES: C(=C\c1cc(Br)ccc1)/I
• Canonical SMILES: I/C=C/c1cccc(c1)Br
• InChI: InChI=1S/C8H6BrI/c9-8-3-1-2-7(6-8)4-5-10/h1-6H
• InChIKey: JIVGFMUGTDJRNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(2-iodoethenyl)benzene
• IUPAC Traditional name: 1-bromo-3-(2-iodoethenyl)benzene
• Synonyms: 1-bromo-3-(2-iodoethenyl)benzene

Database IDs

• MDL Number: MFCD08706446
• PubChem SID: 164303251
• PubChem CID: 10614797

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0440927
• LogD (pH = 7.4): 4.0440927
• Log P: 4.0440927
• Molar Refractivity: 56.8198 cm^3
• Polarizability: 21.794859 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.482

Product Information

• Purity: 95%