ChemSpider 2D Image | 4-(1,2-Oxazol-4-yl)-1,2,5-oxadiazole-3-carbonitrile | C6H2N4O2

4-(1,2-Oxazol-4-yl)-1,2,5-oxadiazole-3-carbonitrile

  • Molecular FormulaC6H2N4O2
  • Average mass162.106 Da
  • Monoisotopic mass162.017776 Da
  • ChemSpider ID74699193

More details:

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

1,2,5-Oxadiazole-3-carbonitrile, 4-(4-isoxazolyl)- [ACD/Index Name]
4-(1,2-Oxazol-4-yl)-1,2,5-oxadiazol-3-carbonitril [German] [ACD/IUPAC Name]
4-(1,2-Oxazol-4-yl)-1,2,5-oxadiazole-3-carbonitrile [ACD/IUPAC Name]
4-(1,2-Oxazol-4-yl)-1,2,5-oxadiazole-3-carbonitrile [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: 434.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.6±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 34.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 40.71
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.71
Polar Surface Area: 89 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 94.3±5.0 dyne/cm
Molar Volume: 103.4±5.0 cm3

Click to predict properties on the Chemicalize site


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