4,6-dichloro-2-methylquinoline

• ChemBase ID: 816031
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c1cc2c(cc1Cl)c(cc(n2)C)Cl
• Canonical SMILES: Clc1ccc2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C10H7Cl2N/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
• InChIKey: KYBCQZHRJZJYCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2-methylquinoline
• IUPAC Traditional name: 4,6-dichloro-2-methylquinoline
• Synonyms: 4,6-DICHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 53342-53-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4683158
• LogD (pH = 7.4): 3.4703343
• Log P: 3.47036
• Molar Refractivity: 54.1804 cm^3
• Polarizability: 22.437595 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%