Cas no 2460492-73-1 (5-fluoropyrazin-2(1H)-one-3,6-d2)

5-fluoropyrazin-2(1H)-one-3,6-d2 structure
2460492-73-1 structure
Product Name:5-fluoropyrazin-2(1H)-one-3,6-d2
CAS No:2460492-73-1
MF:C4H3FN2O
MW:116.090147256851
CID:6825246
PubChem ID:172403366
Update Time:2025-02-28

5-fluoropyrazin-2(1H)-one-3,6-d2 Chemical and Physical Properties

Names and Identifiers

    • 5-fluoropyrazin-2(1H)-one-3,6-d2
    • 2460492-73-1
    • CS-23353
    • Inchi: 1S/C4H3FN2O/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)/i1D,2D
    • InChI Key: FQODCEGFPWHSGX-QDNHWIQGSA-N
    • SMILES: FC1=C([2H])NC(C([2H])=N1)=O

Computed Properties

  • Exact Mass: 116.03549438Da
  • Monoisotopic Mass: 116.03549438Da
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 173
  • 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: -0.4
  • Topological Polar Surface Area: 41.5?2

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