1,2-bis(chloromethyl)-3,4,5,6-tetramethylbenzene

• ChemBase ID: 80847
• Molecular Formular: C12H16Cl2
• Molecular Mass: 231.16144
• Monoisotopic Mass: 230.06290587
• SMILES: ClCc1c(c(c(c(c1CCl)C)C)C)C
• Canonical SMILES: ClCc1c(CCl)c(C)c(c(c1C)C)C
• InChI: InChI=1S/C12H16Cl2/c1-7-8(2)10(4)12(6-14)11(5-13)9(7)3/h5-6H2,1-4H3
• InChIKey: CAFQJTNKSNWMBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(chloromethyl)-3,4,5,6-tetramethylbenzene
• IUPAC Traditional name: 1,2-bis(chloromethyl)-3,4,5,6-tetramethylbenzene
• Synonyms: 1,2-di(chloromethyl)-3,4,5,6-tetramethylbenzene

Database IDs

• MDL Number: MFCD00118346
• PubChem SID: 162067966
• PubChem CID: 305278

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2014155
• LogD (pH = 7.4): 5.2014155
• Log P: 5.2014155
• Molar Refractivity: 65.9566 cm^3
• Polarizability: 24.692406 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false