4,8-Dichloro-5-(trifluoromethyl)quinoline

• Catalog: OFC959071808
• CAS: 959071-80-8
• Category: Fluorinated Quinolines
• MDL Number: MFCD28010391

• IUPAC Name: 4,8-dichloro-5-(trifluoromethyl)quinoline
• InChI: InChI=1S/C10H4Cl2F3N/c11-6-3-4-16-9-7(12)2-1-5(8(6)9)10(13,14)15/h1-4H
• InChI Key: KDPDLVZCPNWNBT-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1C(F)(F)F)C(=CC=N2)Cl)Cl

• Molecular Formula: C10H4Cl2F3N
• Molecular Weight: 266.05

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 264.9672890 g/mol
• Monoisotopic Mass: 264.9672890 g/mol
• Topological Polar Surface Area: 12.9Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 259