2,7-dichloro-4-methylquinoline

• ChemBase ID: 310545
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c12nc(cc(c1ccc(c2)Cl)C)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(cc2C)Cl
• InChI: InChI=1S/C10H7Cl2N/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3
• InChIKey: FTONSAARTKYOAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dichloro-4-methylquinoline
• IUPAC Traditional name: 2,7-dichloro-4-methylquinoline
• Synonyms: 2,7-dichloro-4-methylquinoline

Database IDs

• CAS Number: 59666-16-9
• MDL Number: MFCD01540827

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.072584
• LogD (pH = 7.4): 4.0725884
• Log P: 4.0725884
• Molar Refractivity: 55.6914 cm^3
• Polarizability: 22.49054 Å^3
• Polar Surface Area: 12.89 Å^2