6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline

• Catalog: OFC123637514
• CAS: 123637-51-4
• Category: Fluorinated Quinolines
• Synonyms: 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-1-azanaphthalene
• Purity: 95%
• MDL Number: MFCD00153079

• IUPAC Name: 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline
• InChI: InChI=1S/C11H6BrClF3N/c12-5-6-1-2-9-7(3-6)8(13)4-10(17-9)11(14,15)16/h1-4H,5H2
• InChI Key: SJBKLFYWXYFAGT-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1CBr)C(=CC(=N2)C(F)(F)F)Cl
• EC Number: 670-914-8

• Molecular Formula: C11H6BrClF3N
• Molecular Weight: 324.52
• Melting Point: 118-124 °C

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 322.93242 g/mol
• Monoisotopic Mass: 322.93242 g/mol
• Topological Polar Surface Area: 12.9Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 274