ChemSpider 2D Image | 4-Phenyl-1-[2-(trifluoromethyl)benzyl]-1H-pyrazole | C17H13F3N2

4-Phenyl-1-[2-(trifluoromethyl)benzyl]-1H-pyrazole

  • Molecular FormulaC17H13F3N2
  • Average mass302.294 Da
  • Monoisotopic mass302.103088 Da
  • ChemSpider ID70798331

More details:

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

1H-Pyrazole, 4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-Phenyl-1-[2-(trifluormethyl)benzyl]-1H-pyrazol [German] [ACD/IUPAC Name]
4-Phenyl-1-[2-(trifluoromethyl)benzyl]-1H-pyrazole [ACD/IUPAC Name]
4-Phényl-1-[2-(trifluorométhyl)benzyl]-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 411.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 202.8±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 80.4±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2103.03
ACD/KOC (pH 5.5): 8319.11
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2103.25
ACD/KOC (pH 7.4): 8319.99
Polar Surface Area: 18 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 36.6±7.0 dyne/cm
Molar Volume: 250.3±7.0 cm3

Click to predict properties on the Chemicalize site


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