2-Chloro-4-(trifluoromethyl)quinoline

• Catalog: OFC2806293
• CAS: 2806-29-3
• Category: Fluorinated Quinolines
• Synonyms: Quinoline, 2-chloro-4-(trifluoromethyl)-
• Purity: 98%
• MDL Number: MFCD03407381

• IUPAC Name: 2-chloro-4-(trifluoromethyl)quinoline
• InChI: InChI=1S/C10H5ClF3N/c11-9-5-7(10(12,13)14)6-3-1-2-4-8(6)15-9/h1-5H
• InChI Key: FNDXRWXUIYHEDU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(F)(F)F
• EC Number: 803-638-5

• Molecular Formula: C10H5ClF3N
• Molecular Weight: 231.60
• Storage: Inert atmosphere, room temperature

• XLogP3-AA: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 231.0062613 g/mol
• Monoisotopic Mass: 231.0062613 g/mol
• Topological Polar Surface Area: 12.9Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 231