4-bromo-7-chloro-2,8-dimethylquinoline

• ChemBase ID: 291391
• Molecular Formular: C11H9BrClN
• Molecular Mass: 270.55286
• Monoisotopic Mass: 268.96068897
• SMILES: Cc1c2nc(C)cc(Br)c2ccc1Cl
• Canonical SMILES: Cc1cc(Br)c2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C11H9BrClN/c1-6-5-9(12)8-3-4-10(13)7(2)11(8)14-6/h3-5H,1-2H3
• InChIKey: ITXAGISRCZQTMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-7-chloro-2,8-dimethylquinoline
• IUPAC Traditional name: 4-bromo-7-chloro-2,8-dimethylquinoline
• Synonyms: 4-Bromo-7-chloro-2,8-dimethylquinoline

Database IDs

• CAS Number: 1070879-69-4
• MDL Number: MFCD11504910
• PubChem SID: 180676922
• PubChem CID: 39346162

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1460533
• LogD (pH = 7.4): 4.1484585
• Log P: 4.1484895
• Molar Refractivity: 62.0396 cm^3
• Polarizability: 25.04807 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%