ChemSpider 2D Image | Methyl 1-[1-(4-acetoxyphenyl)ethyl]-5-iodo-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | C16H14F3IN2O4

Methyl 1-[1-(4-acetoxyphenyl)ethyl]-5-iodo-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC16H14F3IN2O4
  • Average mass482.193 Da
  • Monoisotopic mass481.995026 Da
  • ChemSpider ID122512378

More details:

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

1-[1-(4-Acétoxyphényl)éthyl]-5-iodo-3-(trifluorométhyl)-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[1-[4-(acetyloxy)phenyl]ethyl]-5-iodo-3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 1-[1-(4-acetoxyphenyl)ethyl]-5-iodo-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-[1-(4-acetoxyphenyl)ethyl]-5-iod-3-(trifluormethyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 497.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.4±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 94.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 831.92
ACD/KOC (pH 5.5): 4283.46
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 831.92
ACD/KOC (pH 7.4): 4283.46
Polar Surface Area: 70 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 285.2±7.0 cm3

Click to predict properties on the Chemicalize site


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