4,8-dichloro-2,6-dimethylquinoline

• ChemBase ID: 816047
• Molecular Formular: C11H9Cl2N
• Molecular Mass: 226.10186
• Monoisotopic Mass: 225.01120465
• SMILES: c1c(c2c(cc1C)c(cc(n2)C)Cl)Cl
• Canonical SMILES: Cc1cc(Cl)c2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C11H9Cl2N/c1-6-3-8-9(12)5-7(2)14-11(8)10(13)4-6/h3-5H,1-2H3
• InChIKey: NVWVMGFHRHLJGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8-dichloro-2,6-dimethylquinoline
• IUPAC Traditional name: 4,8-dichloro-2,6-dimethylquinoline
• Synonyms: 4,8-DICHLORO-2,6-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 203626-46-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.98318
• LogD (pH = 7.4): 3.9837737
• Log P: 3.9837813
• Molar Refractivity: 59.2216 cm^3
• Polarizability: 24.225306 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%