Cas no 1563-98-0 (Methyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate)

Methyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate structure
1563-98-0 structure
Product Name:Methyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate
CAS No:1563-98-0
MF:C6H7N3O4
MW:185.137480974197
MDL:MFCD23135841
CID:1038230
PubChem ID:14068567
Update Time:2025-04-20

Methyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate
    • 1563-98-0
    • METHYL 1-METHYL-5-NITROIMIDAZOLE-2-CARBOXYLATE
    • A883578
    • BAA56398
    • F17291
    • SCHEMBL11698364
    • 1-methyl-5-nitro-1H-imidazole-2-carboxylic acid methyl ester
    • DA-33318
    • Methyl1-methyl-5-nitro-1H-imidazole-2-carboxylate
    • 1H-Imidazole-2-carboxylic acid, 1-methyl-5-nitro-, methyl ester
    • MFCD23135841
    • DTXSID20555360
    • AKOS016001805
    • AM100298
    • MDL： MFCD23135841
    • Inchi： 1S/C6H7N3O4/c1-8-4(9(11)12)3-7-5(8)6(10)13-2/h3H,1-2H3
    • InChI Key： LLEABRXWBICJNJ-UHFFFAOYSA-N
    • SMILES： O(C)C(C1=NC=C([N+](=O)[O-])N1C)=O

Computed Properties

  • Exact Mass: 185.04365571g/mol
  • Monoisotopic Mass: 185.04365571g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 226
  • 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: 1.3
  • Topological Polar Surface Area: 89.9?2

Experimental Properties

  • Density: 1.49±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 107-110 oC
  • Solubility: Slightly soluble (4.6 g/l) (25 o C),

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