ChemSpider 2D Image | 4-Chloro-2-methyl-5-nitro-3-pyrazolidinecarboxylic acid | C5H8ClN3O4

4-Chloro-2-methyl-5-nitro-3-pyrazolidinecarboxylic acid

  • Molecular FormulaC5H8ClN3O4
  • Average mass209.588 Da
  • Monoisotopic mass209.020340 Da
  • ChemSpider ID110107779

More details:

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

3-Pyrazolidinecarboxylic acid, 4-chloro-2-methyl-5-nitro- [ACD/Index Name]
4-Chlor-2-methyl-5-nitro-3-pyrazolidincarbonsäure [German] [ACD/IUPAC Name]
4-Chloro-2-methyl-5-nitro-3-pyrazolidinecarboxylic acid [ACD/IUPAC Name]
Acide 4-chloro-2-méthyl-5-nitro-3-pyrazolidinecarboxylique [French] [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: 417.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 206.3±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 43.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 127.9±5.0 cm3

Click to predict properties on the Chemicalize site


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