ChemSpider 2D Image | 2-(5-Oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-5-(trifluoromethyl)benzonitrile | C10H5F3N4O

2-(5-Oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-5-(trifluoromethyl)benzonitrile

  • Molecular FormulaC10H5F3N4O
  • Average mass254.168 Da
  • Monoisotopic mass254.041550 Da
  • ChemSpider ID47777263

More details:






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

2-(5-Oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-5-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
2-(5-Oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-5-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
2-(5-Oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-5-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)-5-(trifluoromethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 56.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.10
ACD/KOC (pH 5.5): 111.68
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.70
ACD/KOC (pH 7.4): 103.00
Polar Surface Area: 68 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 165.0±7.0 cm3

Click to predict properties on the Chemicalize site






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