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

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

  • Molecular FormulaC10H5F3N4O
  • Average mass254.168 Da
  • Monoisotopic mass254.041550 Da
  • ChemSpider ID55308811

More details:






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

4-(5-Oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-(5-Oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-(5-Oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)-2-(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: 0.49
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 115.07
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.14
ACD/KOC (pH 7.4): 111.24
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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