Cas no 39062-98-1 (Benzamide, 4-nitro-N-[(trifluoromethyl)sulfonyl]-)

Benzamide, 4-nitro-N-[(trifluoromethyl)sulfonyl]- structure
39062-98-1 structure
Product Name:Benzamide, 4-nitro-N-[(trifluoromethyl)sulfonyl]-
CAS No:39062-98-1
MF:C8H5F3N2O5S
MW:298.195911169052
CID:1500793
PubChem ID:71360437
Update Time:2025-04-21

Benzamide, 4-nitro-N-[(trifluoromethyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzamide, 4-nitro-N-[(trifluoromethyl)sulfonyl]-
    • 4-nitro-N-(trifluoromethylsulfonyl)benzamide
    • 39062-98-1
    • CBFASSIAYNKWBY-UHFFFAOYSA-N
    • 4-Nitro-N-(trifluoromethanesulfonyl)benzamide
    • DTXSID70784229
    • Inchi: 1S/C8H5F3N2O5S/c9-8(10,11)19(17,18)12-7(14)5-1-3-6(4-2-5)13(15)16/h1-4H,(H,12,14)
    • InChI Key: CBFASSIAYNKWBY-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(NC(C1C=CC(=CC=1)[N+](=O)[O-])=O)(=O)=O

Computed Properties

  • Exact Mass: 297.98715
  • Monoisotopic Mass: 297.98712692g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 456
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 117?2

Experimental Properties

  • PSA: 106.38
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