6-bromo-4-chloro-2-ethylquinoline

• ChemBase ID: 281662
• Molecular Formular: C11H9BrClN
• Molecular Mass: 270.55286
• Monoisotopic Mass: 268.96068897
• SMILES: c12c(nc(cc1Cl)CC)ccc(c2)Br
• Canonical SMILES: CCc1cc(Cl)c2c(n1)ccc(c2)Br
• InChI: InChI=1S/C11H9BrClN/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-6H,2H2,1H3
• InChIKey: BTDUERYMNJZNRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-2-ethylquinoline
• IUPAC Traditional name: 6-bromo-4-chloro-2-ethylquinoline
• Synonyms: 6-bromo-4-chloro-2-ethylquinoline

Database IDs

• CAS Number: 930570-40-4
• MDL Number: MFCD09260433
• PubChem SID: 180667193
• PubChem CID: 17039656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3341775
• LogD (pH = 7.4): 4.3355856
• Log P: 4.3356037
• Molar Refractivity: 61.6253 cm^3
• Polarizability: 25.125162 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.739

Product Information

• Purity: 95%; 98%