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

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

  • Molecular FormulaC4H2N4O2
  • Average mass138.084 Da
  • Monoisotopic mass138.017776 Da
  • ChemSpider ID23980445

More details:

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

1H-Imidazole-5-carbonitrile, 2-nitro- [ACD/Index Name]
2-Nitro-1H-imidazol-4-carbonitril [German] [ACD/IUPAC Name]
2-Nitro-1H-imidazole-4-carbonitrile [ACD/IUPAC Name]
2-Nitro-1H-imidazole-4-carbonitrile [French] [ACD/IUPAC Name]
2-Nitro-1H-imidazole-5-carbonitrile
813462-49-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 488.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.1±26.5 °C
Index of Refraction: 1.603
Molar Refractivity: 29.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.79
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 98.9±5.0 dyne/cm
Molar Volume: 84.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement