(S)-Ethyl 7-fluoro-1-(1-hydroxy-3-methylbutan-2-yl)-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate

• Catalog: OFC697762600
• CAS: 697762-60-0
• Category: Fluorinated Quinolines
• Synonyms: Ethyl 7-fluoro-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate
• Purity: 95%
• MDL Number: MFCD22376649

• IUPAC Name: ethyl 7-fluoro-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-iodo-4-oxoquinoline-3-carboxylate
• InChI: InChI=1S/C17H19FINO4/c1-4-24-17(23)11-7-20(15(8-21)9(2)3)14-6-12(18)13(19)5-10(14)16(11)22/h5-7,9,15,21H,4,8H2,1-3H3/t15-/m1/s1
• InChI Key: VCHTVAKQQUGTTA-OAHLLOKOSA-N
• Isomeric SMILES: CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)I)F)[C@H](CO)C(C)C

• Molecular Formula: C17H19FINO4
• Molecular Weight: 447.24
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 447.03428 g/mol
• Monoisotopic Mass: 447.03428 g/mol
• Topological Polar Surface Area: 66.8Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 525