Ethyl difluoro(quinolin-6-yl)acetate

• Catalog: OFC943541400
• CAS: 943541-40-0
• Category: Fluorinated Quinolines
• Synonyms: 6-[(Ethoxycarbonyl)difluoromethyl]quinoline
• MDL Number: MFCD09908063

• IUPAC Name: ethyl 2,2-difluoro-2-quinolin-6-ylacetate
• InChI: InChI=1S/C13H11F2NO2/c1-2-18-12(17)13(14,15)10-5-6-11-9(8-10)4-3-7-16-11/h3-8H,2H2,1H3
• InChI Key: JKSSVYBANQTVNY-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C(C1=CC2=C(C=C1)N=CC=C2)(F)F
• EC Number: 827-440-3

• Molecular Formula: C13H11F2NO2
• Molecular Weight: 251.23
• Boiling Point: 135-145 °C (0.5mmHg)
• Flash Point: >110 °C

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 251.07578492 g/mol
• Monoisotopic Mass: 251.07578492 g/mol
• Topological Polar Surface Area: 39.2Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 309