6-Fluoro-4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylic acid

• Catalog: OFC26893196
• CAS: 26893-19-6
• Category: Fluorinated Quinolines
• Synonyms: 6-Fluoro-4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid
• MDL Number: MFCD28010422

• IUPAC Name: 6-fluoro-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C11H5F4NO3/c12-7-1-4-8(2-6(7)11(13,14)15)16-3-5(9(4)17)10(18)19/h1-3H,(H,16,17)(H,18,19)
• InChI Key: DYMMUJPISSDBKO-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1F)C(F)(F)F)NC=C(C2=O)C(=O)O

• Molecular Formula: C11H5F4NO3
• Molecular Weight: 275.16

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 275.02055567 g/mol
• Monoisotopic Mass: 275.02055567 g/mol
• Topological Polar Surface Area: 66.4Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 446