ChemSpider 2D Image | 1-{[2-(3-Chlorophenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,4-triazole-3-carbonitrile | C13H8ClN5O

1-{[2-(3-Chlorophenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC13H8ClN5O
  • Average mass285.689 Da
  • Monoisotopic mass285.041748 Da
  • ChemSpider ID22432423

More details:

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

1-{[2-(3-Chlorophenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-{[2-(3-Chlorophényl)-1,3-oxazol-4-yl]méthyl}-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1-{[2-(3-Chlorphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-[[2-(3-chlorophenyl)-4-oxazolyl]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 535.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.5±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 75.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.03
ACD/KOC (pH 5.5): 181.23
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.03
ACD/KOC (pH 7.4): 181.23
Polar Surface Area: 81 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 193.9±7.0 cm3

Click to predict properties on the Chemicalize site


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