1-bromo-4-(2-chloroprop-2-en-1-yl)benzene

• ChemBase ID: 73753
• Molecular Formular: C9H8BrCl
• Molecular Mass: 231.51682
• Monoisotopic Mass: 229.94978994
• SMILES: ClC(=C)Cc1ccc(cc1)Br
• Canonical SMILES: ClC(=C)Cc1ccc(cc1)Br
• InChI: InChI=1S/C9H8BrCl/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,1,6H2
• InChIKey: PMGYVIRDWUKCSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(2-chloroprop-2-en-1-yl)benzene
• IUPAC Traditional name: 1-bromo-4-(2-chloroprop-2-en-1-yl)benzene
• Synonyms: 3-(4-Bromophenyl)-2-chloroprop-1-ene; 4-(2-Chloroprop-2-en-1-yl)bromobenzene

Database IDs

• MDL Number: MFCD00671876
• PubChem SID: 162038672
• PubChem CID: 24721716

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9214249
• LogD (pH = 7.4): 3.9214249
• Log P: 3.9214249
• Molar Refractivity: 52.8383 cm^3
• Polarizability: 20.204723 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true