Cas no 36877-68-6 (1H-Imidazole, nitro-)

1H-Imidazole, nitro- structure
1H-Imidazole, nitro- structure
Product Name:1H-Imidazole, nitro-
CAS No:36877-68-6
MF:C3H3N3O2
MW:113.074819803238
CID:316657
PubChem ID:10701
Update Time:2025-09-26

1H-Imidazole, nitro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole, nitro-
    • 2-nitro-1H-imidazole
    • N0891
    • 2 -nitroimidazole
    • 2-Nitroimidazole
    • Z1203162379
    • Azomycin (2-Nitroimidazole)
    • YSWG910
    • s2267
    • 527-73-1
    • NSC 105831
    • BCP26458
    • MLS006010891
    • AKOS007929923
    • CCG-208568
    • NSC-105831
    • Nitroimidazoles
    • NSC105831
    • CHEMBL433637
    • BRN 0116444
    • Azomycin [MI]
    • 2-Nitroimidazole, 98%
    • SMR004701806
    • 1H-Imidazole, 2-nitro-
    • SCHEMBL10049
    • AS-14901
    • SY019543
    • Q27135639
    • SCHEMBL4794199
    • CS-D1102
    • AKOS006222773
    • nitroimidazole
    • EN300-84202
    • K8E96XL55D
    • SR-05000002197
    • Amicin
    • HMS3655N18
    • 2-nitro imidazole
    • DTXSID7060178
    • Q-200313
    • 2-nitro-imidazole
    • Azomycin
    • 2-Nitroimidazol
    • WLN: T5M CNJ BNW
    • SCHEMBL17145914
    • MFCD00005185
    • A7707
    • UNII-K8E96XL55D
    • FT-0601241
    • AM20100295
    • EINECS 208-425-5
    • SR-05000002197-2
    • CHEBI:67135
    • SW220260-1
    • Imidazole, 2-nitro-
    • 36877-68-6
    • NS00011814
    • azomycin-(2-nitroimidazole)
    • BB 0261804
    • FT-0687305
    • HY-N0195
    • Ro 05-9129
    • NCGC00346715-01
    • Inchi: 1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
    • InChI Key: YZEUHQHUFTYLPH-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=NC=CN1)=O

Computed Properties

  • Exact Mass: 113.022526
  • Monoisotopic Mass: 113.022526
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 99.2
  • 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: 0.1
  • Topological Polar Surface Area: 74.5

Experimental Properties

  • Density: 1.552
  • Boiling Point: 373.6 °C at 760 mmHg
  • Flash Point: 179.7 °C
  • PSA: 74.50000
  • LogP: 0.84110

1H-Imidazole, nitro- Pricemore >>

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