ChemSpider 2D Image | 1-(Ethoxymethyl)-4-nitro-1H-pyrazole | C6H9N3O3

1-(Ethoxymethyl)-4-nitro-1H-pyrazole

  • Molecular FormulaC6H9N3O3
  • Average mass171.154 Da
  • Monoisotopic mass171.064392 Da
  • ChemSpider ID26457225

More details:






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

1-(Ethoxymethyl)-4-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
1-(Ethoxymethyl)-4-nitro-1H-pyrazole [ACD/IUPAC Name]
1-(Éthoxyméthyl)-4-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
1306739-07-0 [RN]
1H-Pyrazole, 1-(ethoxymethyl)-4-nitro- [ACD/Index Name]
1-(ethoxymethyl)-4-nitro-1H-pyrazole|1H-pyrazole, 1-(ethoxymethyl)-4-nitro-
1-(ethoxymethyl)-4-nitropyrazole
1-Ethoxymethyl-4-nitro-1H-pyrazole
MFCD16039779 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 277.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 121.9±21.8 °C
Index of Refraction: 1.567
Molar Refractivity: 41.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.24
ACD/KOC (pH 5.5): 80.73
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 80.73
Polar Surface Area: 73 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 127.1±7.0 cm3

Click to predict properties on the Chemicalize site






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