Ethyl 2-(4-(fluorosulfonyl)phenyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate

• Catalog: OFC80789715
• CAS: 80789-71-5
• Category: Fluorinated Quinolines
• Synonyms: 2-[4-(Fluorosulfonyl)phenyl]-4-hydroxyquinoline-6-carboxylic acid ethyl ester
• Purity: 98%

• IUPAC Name: ethyl 2-(4-fluorosulfonylphenyl)-4-oxo-1H-quinoline-6-carboxylate
• InChI: InChI=1S/C18H14FNO5S/c1-2-25-18(22)12-5-8-15-14(9-12)17(21)10-16(20-15)11-3-6-13(7-4-11)26(19,23)24/h3-10H,2H2,1H3,(H,20,21)
• InChI Key: RPVWQFIPQQFZDG-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)C3=CC=C(C=C3)S(=O)(=O)F

• Molecular Formula: C18H14FNO5S
• Molecular Weight: 375.37

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 375.05767188 g/mol
• Monoisotopic Mass: 375.05767188 g/mol
• Topological Polar Surface Area: 97.9Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 691