2,6-dichloro-4-methoxyquinoline

• ChemBase ID: 804502
• Molecular Formular: C10H7Cl2NO
• Molecular Mass: 228.07468
• Monoisotopic Mass: 226.99046921
• SMILES: c1cc2c(cc1Cl)c(cc(n2)Cl)OC
• Canonical SMILES: COc1cc(Cl)nc2c1cc(Cl)cc2
• InChI: InChI=1S/C10H7Cl2NO/c1-14-9-5-10(12)13-8-3-2-6(11)4-7(8)9/h2-5H,1H3
• InChIKey: BTRIRBCYWHOGRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-methoxyquinoline
• IUPAC Traditional name: 2,6-dichloro-4-methoxyquinoline
• Synonyms: 2,6-DICHLORO-4-METHOXYQUINOLINE

Database IDs

• CAS Number: 952434-99-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4014776
• LogD (pH = 7.4): 3.4014955
• Log P: 3.4014957
• Molar Refractivity: 57.1134 cm^3
• Polarizability: 23.25287 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%