ChemSpider 2D Image | 1-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}-1H-1,2,4-triazole-3-carbonitrile | C12H7F3N4O

1-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC12H7F3N4O
  • Average mass280.205 Da
  • Monoisotopic mass280.057190 Da
  • ChemSpider ID26185868

More details:

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

1-{2-Oxo-2-[3-(trifluormethyl)phenyl]ethyl}-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-{2-Oxo-2-[3-(trifluorométhyl)phényl]éthyl}-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 413.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.6±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 65.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.83
ACD/KOC (pH 5.5): 262.60
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.83
ACD/KOC (pH 7.4): 262.60
Polar Surface Area: 72 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 197.2±7.0 cm3

Click to predict properties on the Chemicalize site


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