Ethyl 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylate

• Catalog: OFC112811719-1
• CAS: 112811-71-9
• Category: Fluorinated Quinolines
• Synonyms: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester
• Purity: >98.0%(GC)
• MDL Number: MFCD05864419

• IUPAC Name: ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
• InChI: InChI=1S/C16H15F2NO4/c1-3-23-16(21)10-7-19(8-4-5-8)13-9(14(10)20)6-11(17)12(18)15(13)22-2/h6-8H,3-5H2,1-2H3
• InChI Key: XPAOPAPDCRLMTR-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)OC)C3CC3
• EC Number: 620-302-1
• Reaxys Registry Number: 7442085

• Molecular Formula: C16H15F2NO4
• Molecular Weight: 323.3
• Melting Point: 183.0-187.0 °C
• Appearance: White to almost white powder to crystal
• Storage: <0 °C
• Stability: Heat sensitive

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 323.09691428 g/mol
• Monoisotopic Mass: 323.09691428 g/mol
• Topological Polar Surface Area: 55.8Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 534

• HS Number: 2933.49.7000