4-bromo-6-methoxyquinoline

• ChemBase ID: 806605
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: c1cc2c(cc1OC)c(ccn2)Br
• Canonical SMILES: COc1ccc2c(c1)c(Br)ccn2
• InChI: InChI=1S/C10H8BrNO/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
• InChIKey: HRFFYKLVLCFCQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-methoxyquinoline
• IUPAC Traditional name: 4-bromo-6-methoxyquinoline
• Synonyms: 4-BROMO-6-METHOXYQUINOLINE

Database IDs

• CAS Number: 42881-66-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7374868
• LogD (pH = 7.4): 2.741925
• Log P: 2.7419817
• Molar Refractivity: 54.0653 cm^3
• Polarizability: 22.156696 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%