ChemSpider 2D Image | 5-Chloro-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-2-propanyl)-4-(trifluoromethyl)-1H-pyrazole | C17H17ClF6N2O

5-Chloro-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-2-propanyl)-4-(trifluoromethyl)-1H-pyrazole

  • Molecular FormulaC17H17ClF6N2O
  • Average mass414.773 Da
  • Monoisotopic mass414.093353 Da
  • ChemSpider ID123196227

More details:

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

1H-Pyrazole, 5-chloro-3-(1,1-dimethylethyl)-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)- [ACD/Index Name]
5-Chlor-1-[2-ethoxy-5-(trifluormethyl)phenyl]-3-(2-methyl-2-propanyl)-4-(trifluormethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
5-Chloro-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-2-propanyl)-4-(trifluoromethyl)-1H-pyrazole [ACD/IUPAC Name]
5-Chloro-1-[2-éthoxy-5-(trifluorométhyl)phényl]-3-(2-méthyl-2-propanyl)-4-(trifluorométhyl)-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 195.7±27.9 °C
Index of Refraction: 1.484
Molar Refractivity: 88.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64683.70
ACD/KOC (pH 5.5): 96638.01
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 64683.70
ACD/KOC (pH 7.4): 96638.01
Polar Surface Area: 27 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 28.7±7.0 dyne/cm
Molar Volume: 310.5±7.0 cm3

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