ChemSpider 2D Image | 1-(1,2-Oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carbonitrile | C7H5N5O

1-(1,2-Oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC7H5N5O
  • Average mass175.148 Da
  • Monoisotopic mass175.049408 Da
  • ChemSpider ID61177836

More details:

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

1-(1,2-Oxazol-3-ylmethyl)-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1-(1,2-Oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-(1,2-Oxazol-3-ylméthyl)-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-(3-isoxazolylmethyl)- [ACD/Index Name]
1865002-20-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 435.0±47.0 °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: 216.9±29.3 °C
Index of Refraction: 1.723
Molar Refractivity: 46.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.33
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.33
Polar Surface Area: 81 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 116.4±7.0 cm3

Click to predict properties on the Chemicalize site


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