ChemSpider 2D Image | 1-Methyl-4-nitro-3-(propyl-2,2,3,3,3-d5)-1H-pyrazole-5-carboxylic acid | C8H6D5N3O4

1-Methyl-4-nitro-3-(propyl-2,2,3,3,3-d5)-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC8H6D5N3O4
  • Average mass218.221 Da
  • Monoisotopic mass218.106339 Da
  • ChemSpider ID48060425

  • Non-standard isotope - Non-standard isotope

More details:

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

1175992-94-5 [RN]
1H-Pyrazole-5-carboxylic acid, 1-methyl-4-nitro-3-(propyl-2,2,3,3,3-d5)- [ACD/Index Name]
1-Methyl-4-nitro-3-(propyl-2,2,3,3,3-d5)-1H-pyrazole-5-carboxylic acid
1-Methyl-4-nitro-3-[(2,2,3,3,3-2H5)propyl]-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-Methyl-4-nitro-3-[(2,2,3,3,3-2H5)propyl]-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 1-méthyl-4-nitro-3-[(2,2,3,3,3-2H5)propyl]-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]
2-methyl-4-nitro-5-(2,2,3,3,3-pentadeuteriopropyl)pyrazole-3-carboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 392.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 191.3±27.9 °C
Index of Refraction: 1.611
Molar Refractivity: 50.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 146.6±7.0 cm3

Click to predict properties on the Chemicalize site


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