2-chloro-3,8-dimethylquinoline

• ChemBase ID: 807592
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1c(c2c(cc1)cc(c(n2)Cl)C)C
• Canonical SMILES: Clc1nc2c(cc1C)cccc2C
• InChI: InChI=1S/C11H10ClN/c1-7-4-3-5-9-6-8(2)11(12)13-10(7)9/h3-6H,1-2H3
• InChIKey: NVTHPPOUFJQHDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,8-dimethylquinoline
• IUPAC Traditional name: 2-chloro-3,8-dimethylquinoline
• Synonyms: 2-CHLORO-3,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 108097-04-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.981951
• LogD (pH = 7.4): 3.9819648
• Log P: 3.981965
• Molar Refractivity: 55.9278 cm^3
• Polarizability: 22.423052 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%