Ethyl 5-bromo-8-fluoro-4-hydroxyquinoline-3-carboxylate

• Catalog: OFC1065094156
• CAS: 1065094-15-6
• Category: Fluorinated Quinolines
• Synonyms: 3-Quinolinecarboxylic acid, 5-bromo-8-fluoro-4-hydroxy-, ethyl ester
• MDL Number: MFCD28010429

• IUPAC Name: ethyl 5-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylate
• InChI: InChI=1S/C12H9BrFNO3/c1-2-18-12(17)6-5-15-10-8(14)4-3-7(13)9(10)11(6)16/h3-5H,2H2,1H3,(H,15,16)
• InChI Key: XYYCVUGHMPPADO-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CNC2=C(C=CC(=C2C1=O)Br)F

• Molecular Formula: C12H9BrFNO3
• Molecular Weight: 314.11

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 312.97498 g/mol
• Monoisotopic Mass: 312.97498 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 399