Cas no 721-71-1 ([(e)-[(e)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]urea)

[(e)-[(e)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]urea structure
721-71-1 structure
Product Name:[(e)-[(e)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]urea
CAS No:721-71-1
MF:C8H8N4O4
MW:224.17352104187
CID:1753350
PubChem ID:9561452
Update Time:2025-04-21

[(e)-[(e)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]urea Chemical and Physical Properties

Names and Identifiers

    • [(e)-[(e)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]urea
    • NF-242
    • NSC 53264
    • BRN 0021542
    • 5-Nitro-2-furanacrylaldehyde 1-semicarbazone
    • 2-FURANACRYLALDEHYDE, 5-NITRO-, 1-SEMICARBAZONE
    • NSC53264
    • AC1Q5AZG
    • CHEMBL1632500
    • NSC-53264
    • 5-Nitro-2-furanacrylaldehyde 1-semicarbazone;2-FURANACRYLALDEHYDE,5-NITRO-,1-SEMICARBAZONE;NF-242;
    • 721-71-1
    • 4-17-00-04704 (Beilstein Handbook Reference)
    • 2-(3-(5-Nitrofuran-2-yl)allylidene)hydrazine-1-carboxamide
    • Inchi: 1S/C8H8N4O4/c9-8(13)11-10-5-1-2-6-3-4-7(16-6)12(14)15/h1-5H,(H3,9,11,13)/b2-1+,10-5+
    • InChI Key: HYPUCPMYDLRLLS-WYAOVLDQSA-N
    • SMILES: O1C(=CC=C1/C=C/C=N/NC(N)=O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 224.05500
  • Monoisotopic Mass: 224.055
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 323
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 126A^2

Experimental Properties

  • Density: 1.512
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.63
  • PSA: 126.44000
  • LogP: 2.46950
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