1,4-dichloro-2-ethenylbenzene

• ChemBase ID: 180384
• Molecular Formular: C8H6Cl2
• Molecular Mass: 173.03924
• Monoisotopic Mass: 171.98465555
• SMILES: C=Cc1c(ccc(c1)Cl)Cl
• Canonical SMILES: C=Cc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
• InChIKey: IZMZREOTRMMCCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-2-ethenylbenzene
• IUPAC Traditional name: 1,4-dichloro-2-ethenylbenzene
• Synonyms: 2,5-Dichlorostyrene

Database IDs

• CAS Number: 1123-84-8
• PubChem SID: 164236294
• PubChem CID: 14294

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: 17.573229 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true