7-bromo-4-chloro-2-methylquinoline

• ChemBase ID: 805303
• Molecular Formular: C10H7BrClN
• Molecular Mass: 256.52628
• Monoisotopic Mass: 254.94503891
• SMILES: c1(cc2c(cc1)c(cc(n2)C)Cl)Br
• Canonical SMILES: Brc1ccc2c(c1)nc(cc2Cl)C
• InChI: InChI=1S/C10H7BrClN/c1-6-4-9(12)8-3-2-7(11)5-10(8)13-6/h2-5H,1H3
• InChIKey: FJDVKITWPOOYSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-4-chloro-2-methylquinoline
• IUPAC Traditional name: 7-bromo-4-chloro-2-methylquinoline
• Synonyms: 7-BROMO-4-CHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 143946-45-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6322858
• LogD (pH = 7.4): 3.635033
• Log P: 3.635068
• Molar Refractivity: 56.9984 cm^3
• Polarizability: 23.297537 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%