6-bromo-4-chloro-2-(propan-2-yl)quinoline hydrochloride

• ChemBase ID: 804799
• Molecular Formular: C12H12BrCl2N
• Molecular Mass: 321.04038
• Monoisotopic Mass: 318.95301675
• SMILES: Cl.c1cc2c(cc1Br)c(cc(n2)C(C)C)Cl
• Canonical SMILES: Brc1ccc2c(c1)c(Cl)cc(n2)C(C)C.Cl
• InChI: InChI=1S/C12H11BrClN.ClH/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12;/h3-7H,1-2H3;1H
• InChIKey: QJPXTZSHWUMPIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-2-(propan-2-yl)quinoline hydrochloride
• IUPAC Traditional name: 6-bromo-4-chloro-2-isopropylquinoline hydrochloride
• Synonyms: 6-BROMO-4-CHLORO-2-ISOPROPYLQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8776207
• LogD (pH = 7.4): 4.8785777
• Log P: 4.87859
• Molar Refractivity: 66.1998 cm^3
• Polarizability: 26.954784 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%