ChemSpider 2D Image | Ethyl 4-nitro-1H-imidazole-2-carboxylate | C6H7N3O4

Ethyl 4-nitro-1H-imidazole-2-carboxylate

  • Molecular FormulaC6H7N3O4
  • Average mass185.137 Da
  • Monoisotopic mass185.043655 Da
  • ChemSpider ID26519348

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Imidazole-2-carboxylic acid, 5-nitro-, ethyl ester [ACD/Index Name]
4-Nitro-1H-imidazole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
865998-46-5 [RN]
Ethyl 4-nitro-1H-imidazole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-nitro-1H-imidazol-2-carboxylat [German] [ACD/IUPAC Name]
[865998-46-5] [RN]
169770-25-6 [RN]
1H-Imidazole-2-carboxylic acid,5-nitro-,ethyl ester
1H-Imidazole-2-carboxylicacid, 5-nitro-, ethyl ester
2-Iodo-6-methylpyridine [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 374.2±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.2±3.0 kJ/mol
    Flash Point: 180.1±25.7 °C
    Index of Refraction: 1.570
    Molar Refractivity: 41.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.25
    ACD/LogD (pH 5.5): 0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.29
    ACD/LogD (pH 7.4): -0.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.86
    Polar Surface Area: 101 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 64.9±3.0 dyne/cm
    Molar Volume: 127.2±3.0 cm3

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