Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate

• Catalog: OFC194805077
• CAS: 194805-07-7
• Category: Fluorinated Quinolines
• Synonyms: Bromo-1-Cyclopropyl-8-Difluoromethoxy-4-Oxo-1,4-dihydro-3-quinoline-Carboxylate
• Purity: 95%
• MDL Number: MFCD09743440

• IUPAC Name: ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylate
• InChI: InChI=1S/C16H14BrF2NO4/c1-2-23-15(22)10-7-20(8-3-4-8)12-9(13(10)21)5-6-11(17)14(12)24-16(18)19/h5-8,16H,2-4H2,1H3
• InChI Key: ZVUUANRFLJIZGV-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC(F)F)Br)C3CC3
• EC Number: 438-080-8

• Molecular Formula: C16H14BrF2NO4
• Molecular Weight: 402.19
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 401.00743 g/mol
• Monoisotopic Mass: 401.00743 g/mol
• Topological Polar Surface Area: 55.8Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 552