ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-5-(4-chloro-1H-pyrazol-3-yl)-1,2,4-oxadiazole | C12H7ClN4O3

3-(1,3-Benzodioxol-5-yl)-5-(4-chloro-1H-pyrazol-3-yl)-1,2,4-oxadiazole

  • Molecular FormulaC12H7ClN4O3
  • Average mass290.662 Da
  • Monoisotopic mass290.020660 Da
  • ChemSpider ID58931700

More details:

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

1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-(4-chloro-1H-pyrazol-3-yl)- [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-5-(4-chlor-1H-pyrazol-3-yl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-(4-chloro-1H-pyrazol-3-yl)-1,2,4-oxadiazole [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-(4-chloro-1H-pyrazol-3-yl)-1,2,4-oxadiazole [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: 530.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 274.4±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 67.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.64
ACD/KOC (pH 5.5): 334.76
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.35
ACD/KOC (pH 7.4): 302.37
Polar Surface Area: 86 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 183.9±3.0 cm3

Click to predict properties on the Chemicalize site


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