4-Chloro-6-methyl-2-(trifluoromethyl)quinoline

• Catalog: OFC1701264
• CAS: 1701-26-4
• Category: Fluorinated Quinolines
• Purity: 98%
• MDL Number: MFCD00153097

• IUPAC Name: 4-chloro-6-methyl-2-(trifluoromethyl)quinoline
• InChI: InChI=1S/C11H7ClF3N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3
• InChI Key: ZLSXNETUGWRDSH-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CC2=C(C=C1)N=C(C=C2Cl)C(F)(F)F
• EC Number: 670-867-3

• Molecular Formula: C11H7ClF3N
• Molecular Weight: 245.63
• Storage: Inert atmosphere, 2-8 °C

• XLogP3-AA: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 245.0219114 g/mol
• Monoisotopic Mass: 245.0219114 g/mol
• Topological Polar Surface Area: 12.9Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 256