1-[(E)-2-bromoethenyl]-2-chlorobenzene

• ChemBase ID: 246537
• Molecular Formular: C8H6BrCl
• Molecular Mass: 217.49024
• Monoisotopic Mass: 215.93413987
• SMILES: Clc1ccccc1/C=C/Br
• Canonical SMILES: Br/C=C/c1ccccc1Cl
• InChI: InChI=1S/C8H6BrCl/c9-6-5-7-3-1-2-4-8(7)10/h1-6H/b6-5+
• InChIKey: GPCNKFPFMMMJBW-AATRIKPKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(E)-2-bromoethenyl]-2-chlorobenzene
• IUPAC Traditional name: 1-[(E)-2-bromoethenyl]-2-chlorobenzene
• Synonyms: 1-[2-bromovinyl]-2-chlorobenzene

Database IDs

• MDL Number: MFCD12923154
• PubChem SID: 164302447
• PubChem CID: 12000386

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.795898
• LogD (pH = 7.4): 3.795898
• Log P: 3.795898
• Molar Refractivity: 48.1687 cm^3
• Polarizability: 18.419146 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.922

Product Information

• Purity: 95%