2-chloro-8-methoxyquinoline

• ChemBase ID: 310544
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: n1c2c(OC)cccc2ccc1Cl
• Canonical SMILES: COc1cccc2c1nc(Cl)cc2
• InChI: InChI=1S/C10H8ClNO/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3
• InChIKey: IYADVMNJDHMUBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-8-methoxyquinoline
• IUPAC Traditional name: 2-chloro-8-methoxyquinoline
• Synonyms: 2-chloro-8-methoxyquinoline

Database IDs

• CAS Number: 74668-74-9
• MDL Number: MFCD02684171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.797451
• LogD (pH = 7.4): 2.797451
• Log P: 2.797451
• Molar Refractivity: 52.3086 cm^3
• Polarizability: 21.388472 Å^3
• Polar Surface Area: 22.12 Å^2