6-bromo-4-chloro-2-propylquinoline

• ChemBase ID: 804674
• Molecular Formular: C12H11BrClN
• Molecular Mass: 284.57944
• Monoisotopic Mass: 282.97633904
• SMILES: c1cc2c(cc1Br)c(cc(n2)CCC)Cl
• Canonical SMILES: CCCc1cc(Cl)c2c(n1)ccc(c2)Br
• InChI: InChI=1S/C12H11BrClN/c1-2-3-9-7-11(14)10-6-8(13)4-5-12(10)15-9/h4-7H,2-3H2,1H3
• InChIKey: QYFOGUDLBMGKHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-2-propylquinoline
• IUPAC Traditional name: 6-bromo-4-chloro-2-propylquinoline
• Synonyms: 6-BROMO-4-CHLORO-2-PROPYLQUINOLINE

Database IDs

• CAS Number: 930570-34-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7788568
• LogD (pH = 7.4): 4.7801557
• Log P: 4.7801723
• Molar Refractivity: 66.2263 cm^3
• Polarizability: 26.955112 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%