ChemSpider 2D Image | (3-Ethyl-1H-1,2,4-triazol-5-yl)methyl 3-(4-nitro-1H-pyrazol-1-yl)propanoate | C11H14N6O4

(3-Ethyl-1H-1,2,4-triazol-5-yl)methyl 3-(4-nitro-1H-pyrazol-1-yl)propanoate

  • Molecular FormulaC11H14N6O4
  • Average mass294.267 Da
  • Monoisotopic mass294.107666 Da
  • ChemSpider ID30431286

More details:

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

(3-Ethyl-1H-1,2,4-triazol-5-yl)methyl 3-(4-nitro-1H-pyrazol-1-yl)propanoate [ACD/IUPAC Name]
(3-Ethyl-1H-1,2,4-triazol-5-yl)methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoat [German] [ACD/IUPAC Name]
1H-Pyrazole-1-propanoic acid, 4-nitro-, (5-ethyl-4H-1,2,4-triazol-3-yl)methyl ester [ACD/Index Name]
3-(4-Nitro-1H-pyrazol-1-yl)propanoate de (3-éthyl-1H-1,2,4-triazol-5-yl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 575.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.6±27.3 °C
Index of Refraction: 1.680
Molar Refractivity: 72.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 39.62
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 39.52
Polar Surface Area: 132 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 190.6±7.0 cm3

Click to predict properties on the Chemicalize site


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