Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

• Catalog: OFC172602834
• CAS: 172602-83-4
• Category: Fluorinated Quinolines
• Synonyms: 1-Cyclopropyl-8-ethoxy-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester
• Purity: 97%
• MDL Number: MFCD30186988

• IUPAC Name: ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxoquinoline-3-carboxylate
• InChI: InChI=1S/C17H17F2NO4/c1-3-23-16-13(19)12(18)7-10-14(16)20(9-5-6-9)8-11(15(10)21)17(22)24-4-2/h7-9H,3-6H2,1-2H3
• InChI Key: HVSSSDATQQUFJP-UHFFFAOYSA-N
• Isomeric SMILES: CCOC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)OCC

• Molecular Formula: C17H17F2NO4
• Molecular Weight: 337.32
• Storage: Sealed in dry, room temperature

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 337.11256435 g/mol
• Monoisotopic Mass: 337.11256435 g/mol
• Topological Polar Surface Area: 55.8Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 549