3-bromo-2-methoxyquinoline

• ChemBase ID: 308840
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: n1c(c(cc2c1cccc2)Br)OC
• Canonical SMILES: COc1nc2ccccc2cc1Br
• InChI: InChI=1S/C10H8BrNO/c1-13-10-8(11)6-7-4-2-3-5-9(7)12-10/h2-6H,1H3
• InChIKey: RANIWICHNFHZMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-methoxyquinoline
• IUPAC Traditional name: 3-bromo-2-methoxyquinoline
• Synonyms: 3-bromo-2-methoxyquinoline

Database IDs

• CAS Number: 222317-29-5
• MDL Number: MFCD12827492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.336432
• LogD (pH = 7.4): 3.3364394
• Log P: 3.3364394
• Molar Refractivity: 54.3788 cm^3
• Polarizability: 22.168673 Å^3
• Polar Surface Area: 22.12 Å^2