1,5-bis(chloromethyl)-2,4-dimethylbenzene

• ChemBase ID: 85193
• Molecular Formular: C10H12Cl2
• Molecular Mass: 203.10828
• Monoisotopic Mass: 202.03160574
• SMILES: ClCc1cc(c(cc1C)C)CCl
• Canonical SMILES: ClCc1cc(CCl)c(cc1C)C
• InChI: InChI=1S/C10H12Cl2/c1-7-3-8(2)10(6-12)4-9(7)5-11/h3-4H,5-6H2,1-2H3
• InChIKey: JALHTPIEJQBDEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00013680
• PubChem SID: 162072309
• PubChem CID: 220296

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.174573
• LogD (pH = 7.4): 4.174573
• Log P: 4.174573
• Molar Refractivity: 55.8742 cm^3
• Polarizability: 21.167978 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true