Cas no 140475-22-5 (1H-Imidazole-1-acetamide,N-[(4-fluorophenyl)methyl]-2-nitro-)

1H-Imidazole-1-acetamide,N-[(4-fluorophenyl)methyl]-2-nitro- structure
140475-22-5 structure
Product Name:1H-Imidazole-1-acetamide,N-[(4-fluorophenyl)methyl]-2-nitro-
CAS No:140475-22-5
MF:C12H11FN4O3
MW:278.239145517349
CID:215399
PubChem ID:132292
Update Time:2025-04-19

1H-Imidazole-1-acetamide,N-[(4-fluorophenyl)methyl]-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-1-acetamide,N-[(4-fluorophenyl)methyl]-2-nitro-
    • N-[(4-fluorophenyl)methyl]-2-(2-nitroimidazol-1-yl)acetamide
    • 1H-Imidazole-1-acetamide, N-((4-fluorophenyl)methyl)-2-nitro-
    • N-(4-fluorobenzyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide
    • PK-110
    • N-(4-Fluorobenzyl)-2-(2-(hydroxy(oxido)amino)-1H-imidazol-1-yl)acetamide
    • NSC-644215
    • NSC644215
    • PK 110
    • NCI60_014983
    • DTXSID60161409
    • 140475-22-5
    • CHEMBL1993594
    • Inchi: 1S/C12H11FN4O3/c13-10-3-1-9(2-4-10)7-15-11(18)8-16-6-5-14-12(16)17(19)20/h1-6H,7-8H2,(H,15,18)
    • InChI Key: DABKTULDOCZOAO-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)CNC(CN1C=CN=C1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 278.081518
  • Monoisotopic Mass: 278.081518
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 355
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 92.7

Experimental Properties

  • Density: 1.42
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.629
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