ChemSpider 2D Image | 5-(1-Methyl-4-nitro-1H-pyrazol-5-yl)-1,2-oxazole-4-carboxylic acid | C8H6N4O5

5-(1-Methyl-4-nitro-1H-pyrazol-5-yl)-1,2-oxazole-4-carboxylic acid

  • Molecular FormulaC8H6N4O5
  • Average mass238.157 Da
  • Monoisotopic mass238.033813 Da
  • ChemSpider ID65512900

More details:

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

4-Isoxazolecarboxylic acid, 5-(1-methyl-4-nitro-1H-pyrazol-5-yl)- [ACD/Index Name]
5-(1-Methyl-4-nitro-1H-pyrazol-5-yl)-1,2-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-(1-Methyl-4-nitro-1H-pyrazol-5-yl)-1,2-oxazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-(1-méthyl-4-nitro-1H-pyrazol-5-yl)-1,2-oxazole-4-carboxylique [French] [ACD/IUPAC Name]
2229127-86-8 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 471.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 239.0±27.3 °C
Index of Refraction: 1.748
Molar Refractivity: 52.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -2.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 85.3±7.0 dyne/cm
Molar Volume: 130.2±7.0 cm3

Click to predict properties on the Chemicalize site


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