1,4-bis(dichloromethyl)benzene

• ChemBase ID: 180396
• Molecular Formular: C8H6Cl4
• Molecular Mass: 243.94524
• Monoisotopic Mass: 241.92236091
• SMILES: c1(ccc(cc1)C(Cl)Cl)C(Cl)Cl
• Canonical SMILES: ClC(c1ccc(cc1)C(Cl)Cl)Cl
• InChI: InChI=1S/C8H6Cl4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H
• InChIKey: VOWDXSFJQOEFSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(dichloromethyl)benzene
• IUPAC Traditional name: 1,4-bis-dichloromethyl-benzene
• Synonyms: 1,4-Bis(dichloromethyl)benzene

Database IDs

• PubChem SID: 164236306
• PubChem CID: 81884

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4851303
• LogD (pH = 7.4): 4.4851303
• Log P: 4.4851303
• Molar Refractivity: 55.9 cm^3
• Polarizability: 21.43769 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true