8-bromo-4-chloro-2-methylquinoline

• ChemBase ID: 816040
• Molecular Formular: C10H7BrClN
• Molecular Mass: 256.52628
• Monoisotopic Mass: 254.94503891
• SMILES: c1c(c2c(cc1)c(cc(n2)C)Cl)Br
• Canonical SMILES: Cc1cc(Cl)c2c(n1)c(Br)ccc2
• InChI: InChI=1S/C10H7BrClN/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3
• InChIKey: SDVHWORPDUOWDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-4-chloro-2-methylquinoline
• IUPAC Traditional name: 8-bromo-4-chloro-2-methylquinoline
• Synonyms: 8-BROMO-4-CHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 1201-07-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6342266
• LogD (pH = 7.4): 3.6350574
• Log P: 3.635068
• Molar Refractivity: 56.9984 cm^3
• Polarizability: 23.306011 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%