Cas no 90947-37-8 (1-(2-Nitrophenyl)-1H-pyrazole-4-carbonitrile)

1-(2-Nitrophenyl)-1H-pyrazole-4-carbonitrile structure
90947-37-8 structure
Product Name:1-(2-Nitrophenyl)-1H-pyrazole-4-carbonitrile
CAS No:90947-37-8
MF:C10H6N4O2
MW:214.180241107941
CID:95208
PubChem ID:53302155
Update Time:2025-08-05

1-(2-Nitrophenyl)-1H-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Nitrophenyl)-1H-pyrazole-4-carbonitrile
    • 1-(2-nitrophenyl)pyrazole-4-carbonitrile
    • AKOS015901636
    • DTXSID30693343
    • 90947-37-8
    • DB-310891
    • Inchi: 1S/C10H6N4O2/c11-5-8-6-12-13(7-8)9-3-1-2-4-10(9)14(15)16/h1-4,6-7H
    • InChI Key: LDBSKTZVIXVCME-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC=CC=1N1C=C(C#N)C=N1)=O

Computed Properties

  • Exact Mass: 214.04907545g/mol
  • Monoisotopic Mass: 214.04907545g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 319
  • 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: 1.4
  • Topological Polar Surface Area: 87.4?2

Experimental Properties

  • Density: 1.38±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 175-177 oC
  • Solubility: Very slightly soluble (0.28 g/l) (25 o C),

1-(2-Nitrophenyl)-1H-pyrazole-4-carbonitrile Pricemore >>

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