ChemSpider 2D Image | Methyl 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazole-3-carboxylate | C9H10N6O4

Methyl 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC9H10N6O4
  • Average mass266.214 Da
  • Monoisotopic mass266.076355 Da
  • ChemSpider ID47265958

More details:

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

1-(1,3-Diméthyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxylic acid, 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-, methyl ester [ACD/Index Name]
Methyl 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
Methyl-1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 494.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.6±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 63.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.32
ACD/KOC (pH 5.5): 63.53
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 63.53
Polar Surface Area: 121 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 162.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement