1-chloro-4-[2-(4-chlorophenyl)ethenyl]benzene

• ChemBase ID: 796219
• Molecular Formular: C14H10Cl2
• Molecular Mass: 249.1352
• Monoisotopic Mass: 248.01595568
• SMILES: c1(ccc(cc1)C=Cc1ccc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)C=Cc1ccc(cc1)Cl
• InChI: InChI=1S/C14H10Cl2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H
• InChIKey: WELCIURRBCOJDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-[2-(4-chlorophenyl)ethenyl]benzene
• IUPAC Traditional name: 1-chloro-4-[2-(4-chlorophenyl)ethenyl]benzene
• Synonyms: 1-chloro-4-[2-(4-chlorophenyl)ethenyl]benzene

Database IDs

• CAS Number: 5121-74-4

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5211763
• LogD (pH = 7.4): 5.5211763
• Log P: 5.5211763
• Molar Refractivity: 71.1224 cm^3
• Polarizability: 27.232193 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%