4-Chloro-6-fluoroquinoline

• Catalog: OFC391775
• CAS: 391-77-5
• Category: Fluorinated Quinolines
• Synonyms: 4-chloro-6-fluoro-quinoline
• Purity: >98.0%(GC)
• MDL Number: MFCD00278783

• IUPAC Name: 4-chloro-6-fluoroquinoline
• InChI: InChI=1S/C9H5ClFN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
• InChI Key: CKTQPWIDUQGUGG-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=NC=CC(=C2C=C1F)Cl
• EC Number: 670-383-2
• Reaxys Registry Number: 124124

• Molecular Formula: C9H5ClFN
• Molecular Weight: 181.59
• Melting Point: 75.0-79.0 °C
• Appearance: White to light yellow powder to crystal

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.0094550 g/mol
• Monoisotopic Mass: 181.0094550 g/mol
• Topological Polar Surface Area: 12.9Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165

• HS Number: 2933.49.7000