Cas no 33137-87-0 (6-nitro-1H-Benzimidazole-2-acetonitrile)

6-nitro-1H-Benzimidazole-2-acetonitrile structure
33137-87-0 structure
Product Name:6-nitro-1H-Benzimidazole-2-acetonitrile
CAS No:33137-87-0
MF:C9H6N4O2
MW:202.169540882111
MDL:MFCD00453245
CID:1110985
PubChem ID:5217378
Update Time:2025-04-20

6-nitro-1H-Benzimidazole-2-acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-nitro-1H-Benzimidazole-2-acetonitrile
    • 2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile
    • SY046475
    • DTXSID30410739
    • AKOS030619111
    • (5-nitro-1H-benzimidazol-2-yl)acetonitrile
    • AC5913
    • MFCD00453245
    • 1H-Benzimidazole-2-acetonitrile, 5-nitro-
    • 33137-87-0
    • 2-(5-Nitro-1H-benzo[d]imidazol-2-yl)acetonitrile
    • CS-12328
    • STK011755
    • DB-108156
    • 2-(Cyanomethyl)-5-nitrobenzimidazole
    • SCHEMBL3388850
    • MDL: MFCD00453245
    • Inchi: 1S/C9H6N4O2/c10-4-3-9-11-7-2-1-6(13(14)15)5-8(7)12-9/h1-2,5H,3H2,(H,11,12)
    • InChI Key: SGTFZCBIJHVSNT-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC2=C(C=1)NC(CC#N)=N2)=O

Computed Properties

  • Exact Mass: 202.04918
  • Monoisotopic Mass: 202.04907545g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 305
  • 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: 1.5
  • Topological Polar Surface Area: 98.3?2

Experimental Properties

  • PSA: 95.61

6-nitro-1H-Benzimidazole-2-acetonitrile Pricemore >>

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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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A2B Chem LLC
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