Cas no 132066-24-1 ( )

  structure
  structure
Product Name: 
CAS No:132066-24-1
MF:C6H6F2N2O3
MW:192.120248317719
CID:867744
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxylicacid,5-amino-3-(difluoromethyl)-,methylester(9CI)
    •  
    • Inchi: 1S/C6H6F2N2O3/c1-12-6(11)2-3(4(7)8)10-13-5(2)9/h4H,9H2,1H3
    • InChI Key: UUHKPQGXGSZNAY-UHFFFAOYSA-N
    • SMILES: O1C(N)=C(C(OC)=O)C(C(F)F)=N1

Computed Properties

  • Exact Mass: 192.035
  • Monoisotopic Mass: 192.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 202
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 78.4A^2
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