ChemSpider 2D Image | 2-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1,3,4-oxadiazole | C5H4N6O3

2-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1,3,4-oxadiazole

  • Molecular FormulaC5H4N6O3
  • Average mass196.124 Da
  • Monoisotopic mass196.034485 Da
  • ChemSpider ID102538897

More details:

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

1,3,4-Oxadiazole, 2-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]- [ACD/Index Name]
2-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1,3,4-oxadiazole [ACD/IUPAC Name]
2-[(3-Nitro-1H-1,2,4-triazol-1-yl)méthyl]-1,3,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 489.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.9±31.5 °C
Index of Refraction: 1.853
Molar Refractivity: 43.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.63
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.63
Polar Surface Area: 115 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 109.4±7.0 dyne/cm
Molar Volume: 97.6±7.0 cm3

Click to predict properties on the Chemicalize site


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