8-bromo-7-methoxyquinoline

• ChemBase ID: 798257
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: c1(c(c2c(cc1)cccn2)Br)OC
• Canonical SMILES: COc1ccc2c(c1Br)nccc2
• InChI: InChI=1S/C10H8BrNO/c1-13-8-5-4-7-3-2-6-12-10(7)9(8)11/h2-6H,1H3
• InChIKey: PYLZPPOBCRUWJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-7-methoxyquinoline
• IUPAC Traditional name: 8-bromo-7-methoxyquinoline
• Synonyms: 8-Bromo-7-methoxyquinoline

Database IDs

• CAS Number: 36023-06-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.736652
• LogD (pH = 7.4): 2.7419143
• Log P: 2.7419817
• Molar Refractivity: 54.0653 cm^3
• Polarizability: 22.168474 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%