1,2-dichloro-4-ethenylbenzene

• ChemBase ID: 90722
• Molecular Formular: C8H6Cl2
• Molecular Mass: 173.03924
• Monoisotopic Mass: 171.98465555
• SMILES: Clc1c(ccc(c1)C=C)Cl
• Canonical SMILES: C=Cc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C8H6Cl2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1H2
• InChIKey: BJQFWAQRPATHTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-4-ethenylbenzene
• IUPAC Traditional name: 1,2-dichloro-4-ethenylbenzene
• Synonyms: 1,2-Dichloro-4-vinylbenzene; 1,2-Dichloro-4-ethenylbenzene; 3,4-Dichlorostyrene

Database IDs

• CAS Number: 2039-83-0
• PubChem SID: 162077462
• PubChem CID: 74869

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9180372
• LogD (pH = 7.4): 3.9180372
• Log P: 3.9180372
• Molar Refractivity: 45.3539 cm^3
• Polarizability: 17.60025 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant