1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• Catalog: OFC112811720
• CAS: 112811-72-0
• Category: Fluorinated Quinolines
• Synonyms: 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
• Purity: 98%
• MDL Number: MFCD05864420

• IUPAC Name: 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C14H11F2NO4/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)
• InChI Key: WQJZXSSAMGZVTM-UHFFFAOYSA-N
• Isomeric SMILES: COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)O
• EC Number: 601-205-3

• Molecular Formula: C14H11F2NO4
• Molecular Weight: 295.24

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 295.06561416 g/mol
• Monoisotopic Mass: 295.06561416 g/mol
• Topological Polar Surface Area: 66.8Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 505