ChemSpider 2D Image | 4-Nitro-1H-imidazole-1-carbonitrile | C4H2N4O2

4-Nitro-1H-imidazole-1-carbonitrile

  • Molecular FormulaC4H2N4O2
  • Average mass138.084 Da
  • Monoisotopic mass138.017776 Da
  • ChemSpider ID24195537

More details:

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

1H-Imidazole-1-carbonitrile, 4-nitro- [ACD/Index Name]
4-Nitro-1H-imidazol-1-carbonitril [German] [ACD/IUPAC Name]
4-Nitro-1H-imidazole-1-carbonitrile [ACD/IUPAC Name]
4-Nitro-1H-imidazole-1-carbonitrile [French] [ACD/IUPAC Name]
1H-Imidazole, 1-cyano-4-nitro- (9CI)
1H-Imidazole,1-cyano-4-nitro-
4-NITROIMIDAZOLE-1-CARBONITRILE
716316-19-7 [RN]
MFCD18808361

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

Density: 1.6±0.1 g/cm3
Boiling Point: 346.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 163.6±25.7 °C
Index of Refraction: 1.695
Molar Refractivity: 33.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.60
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.60
Polar Surface Area: 87 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 84.5±7.0 dyne/cm
Molar Volume: 85.9±7.0 cm3

Click to predict properties on the Chemicalize site


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