ChemSpider 2D Image | 3-Nitro-3,5-dihydro-4H-1,2,3-triazol-4-one | C2H2N4O3

3-Nitro-3,5-dihydro-4H-1,2,3-triazol-4-one

  • Molecular FormulaC2H2N4O3
  • Average mass130.062 Da
  • Monoisotopic mass130.012695 Da
  • ChemSpider ID65792769

More details:






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

3-Nitro-3,5-dihydro-4H-1,2,3-triazol-4-on [German] [ACD/IUPAC Name]
3-Nitro-3,5-dihydro-4H-1,2,3-triazol-4-one [ACD/IUPAC Name]
3-Nitro-3,5-dihydro-4H-1,2,3-triazol-4-one [French] [ACD/IUPAC Name]
4H-1,2,3-Triazol-4-one, 3,5-dihydro-3-nitro- [ACD/Index Name]
nitrotriazolinone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 228.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 92.1±22.6 °C
Index of Refraction: 1.827
Molar Refractivity: 25.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.13
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.13
Polar Surface Area: 91 Å2
Polarizability: 10.2±0.5 10-24cm3
Surface Tension: 137.6±7.0 dyne/cm
Molar Volume: 58.8±7.0 cm3

Click to predict properties on the Chemicalize site






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