4-bromo-6-methoxy-2-methylquinoline

• ChemBase ID: 807605
• Molecular Formular: C11H10BrNO
• Molecular Mass: 252.1072
• Monoisotopic Mass: 250.99457595
• SMILES: c1cc2c(cc1OC)c(cc(n2)C)Br
• Canonical SMILES: COc1ccc2c(c1)c(Br)cc(n2)C
• InChI: InChI=1S/C11H10BrNO/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6H,1-2H3
• InChIKey: GKOUTMWNNUHDTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-methoxy-2-methylquinoline
• IUPAC Traditional name: 4-bromo-6-methoxy-2-methylquinoline
• Synonyms: 4-BROMO-6-METHOXY-2-METHYLQUINOLINE

Database IDs

• CAS Number: 856095-00-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8544466
• LogD (pH = 7.4): 2.8731086
• Log P: 2.873352
• Molar Refractivity: 58.6568 cm^3
• Polarizability: 23.91174 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%