ChemSpider 2D Image | 2-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole | C7H6ClN5O3

2-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

  • Molecular FormulaC7H6ClN5O3
  • Average mass243.607 Da
  • Monoisotopic mass243.015915 Da
  • ChemSpider ID44677636

More details:

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

1,3,4-Oxadiazole, 2-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-methyl- [ACD/Index Name]
2-[(4-Chlor-3-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole [ACD/IUPAC Name]
2-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)méthyl]-5-méthyl-1,3,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 445.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 223.2±31.5 °C
Index of Refraction: 1.748
Molar Refractivity: 54.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 70.87
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 70.87
Polar Surface Area: 103 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 76.1±7.0 dyne/cm
Molar Volume: 133.5±7.0 cm3

Click to predict properties on the Chemicalize site


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