1-Cyclopropyl-6,8-difluoro-7-(4-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• Catalog: OFC136440705
• CAS: 136440-70-5
• Category: Fluorinated Quinolines
• Synonyms: 1-Cyclopropyl-6,8-difluoro-7-(4-hydroxyphenyl)-4-quinolone-3-carboxylic acid
• Purity: 97%

• IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C19H13F2NO4/c20-14-7-12-17(16(21)15(14)9-1-5-11(23)6-2-9)22(10-3-4-10)8-13(18(12)24)19(25)26/h1-2,5-8,10,23H,3-4H2,(H,25,26)
• InChI Key: ISQTYKAFNUVODK-UHFFFAOYSA-N
• Isomeric SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)C4=CC=C(C=C4)O)F)C(=O)O

• Molecular Formula: C19H13F2NO4
• Molecular Weight: 357.31

• XLogP3-AA: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 357.08126422 g/mol
• Monoisotopic Mass: 357.08126422 g/mol
• Topological Polar Surface Area: 77.8Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 627