6-chloro-2,8-dimethylquinoline

• ChemBase ID: 806523
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1c(c2c(cc1Cl)ccc(n2)C)C
• Canonical SMILES: Clc1cc(C)c2c(c1)ccc(n2)C
• InChI: InChI=1S/C11H10ClN/c1-7-5-10(12)6-9-4-3-8(2)13-11(7)9/h3-6H,1-2H3
• InChIKey: MVXUKVOJHFTFPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,8-dimethylquinoline
• IUPAC Traditional name: 6-chloro-2,8-dimethylquinoline
• Synonyms: 6-CHLORO-2,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 948289-20-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.355672
• LogD (pH = 7.4): 3.379425
• Log P: 3.3797367
• Molar Refractivity: 54.4168 cm^3
• Polarizability: 22.35959 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%