ChemSpider 2D Image | 2-(Diethylamino)-2-oxoethyl (2E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylate | C19H21ClFN3O3

2-(Diethylamino)-2-oxoethyl (2E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylate

  • Molecular FormulaC19H21ClFN3O3
  • Average mass393.840 Da
  • Monoisotopic mass393.125549 Da
  • ChemSpider ID22826438

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[5-Chloro-1-(4-fluorophényl)-3-méthyl-1H-pyrazol-4-yl]acrylate de 2-(diéthylamino)-2-oxoéthyle [French] [ACD/IUPAC Name]
2-(Diethylamino)-2-oxoethyl (2E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylate [ACD/IUPAC Name]
2-(Diethylamino)-2-oxoethyl-(2E)-3-[5-chlor-1-(4-fluorphenyl)-3-methyl-1H-pyrazol-4-yl]acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-, 2-(diethylamino)-2-oxoethyl ester, (2E)- [ACD/Index 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: 527.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 273.0±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 236.20
ACD/KOC (pH 5.5): 1739.39
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 236.20
ACD/KOC (pH 7.4): 1739.39
Polar Surface Area: 64 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 318.3±7.0 cm3

Click to predict properties on the Chemicalize site


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