ChemSpider 2D Image | Diethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate | C17H17ClN2O5

Diethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate

  • Molecular FormulaC17H17ClN2O5
  • Average mass364.780 Da
  • Monoisotopic mass364.082611 Da
  • ChemSpider ID31023717

More details:

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

1-[2-(4-Chlorophényl)-2-oxoéthyl]-1H-pyrazole-3,5-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3,5-dicarboxylic acid, 1-[2-(4-chlorophenyl)-2-oxoethyl]-, diethyl ester [ACD/Index Name]
Diethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate [ACD/IUPAC Name]
Diethyl-1-[2-(4-chlorphenyl)-2-oxoethyl]-1H-pyrazol-3,5-dicarboxylat [German] [ACD/IUPAC Name]
[1610377-15-5] [RN]
>90%
1610377-15-5 [RN]
3,5-diethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate
3,5-diethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]pyrazole-3,5-dicarboxylate
BS-3164
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 523.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.5±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.38
ACD/KOC (pH 5.5): 1247.06
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.38
ACD/KOC (pH 7.4): 1247.06
Polar Surface Area: 87 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 277.1±7.0 cm3

Click to predict properties on the Chemicalize site


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