2-Chloro-8-fluoroquinoline-3-carboxylic acid

• Catalog: OFC1017378958
• CAS: 1017378-95-8
• Category: Fluorinated Quinolines
• Purity: 97%
• MDL Number: MFCD09895918

• IUPAC Name: 2-chloro-8-fluoroquinoline-3-carboxylic acid
• InChI: InChI=1S/C10H5ClFNO2/c11-9-6(10(14)15)4-5-2-1-3-7(12)8(5)13-9/h1-4H,(H,14,15)
• InChI Key: HJZCIUVMJNRLND-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=CC(=C(N=C2C(=C1)F)Cl)C(=O)O

• Molecular Formula: C10H5ClFNO2
• Molecular Weight: 225.60
• Storage: Inert atmosphere, 2-8 °C

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 224.9992843 g/mol
• Monoisotopic Mass: 224.9992843 g/mol
• Topological Polar Surface Area: 50.2Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 264