4-Chloro-6-fluoroquinoline-3-carboxylic acid

• Catalog: OFC179024670
• CAS: 179024-67-0
• Category: Fluorinated Quinolines
• Synonyms: 4-Chloro-6-fluoro- quinoline-3-carboxylic acid
• Purity: 98%
• MDL Number: MFCD06255123

• IUPAC Name: 4-chloro-6-fluoroquinoline-3-carboxylic acid
• InChI: InChI=1S/C10H5ClFNO2/c11-9-6-3-5(12)1-2-8(6)13-4-7(9)10(14)15/h1-4H,(H,14,15)
• InChI Key: NEMDTRIVHUEXJW-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=NC=C(C(=C2C=C1F)Cl)C(=O)O

• Molecular Formula: C10H5ClFNO2
• Molecular Weight: 225.60
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 2.4
• 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