2-chloro-4-methoxyquinoline

• ChemBase ID: 804500
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c1cc2c(cc1)c(cc(n2)Cl)OC
• Canonical SMILES: COc1cc(Cl)nc2c1cccc2
• InChI: InChI=1S/C10H8ClNO/c1-13-9-6-10(11)12-8-5-3-2-4-7(8)9/h2-6H,1H3
• InChIKey: LVWGQKSYKDQZKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methoxyquinoline
• IUPAC Traditional name: 2-chloro-4-methoxyquinoline
• Synonyms: 2-CHLORO-4-METHOXYQUINOLINE

Database IDs

• CAS Number: 4295-09-4

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.797449
• Log P: 2.797451
• Molar Refractivity: 52.3086 cm^3
• Polarizability: 21.390404 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7973037

PROPERTIES

Product Information

• Purity: 98%