ChemSpider 2D Image | Ethyl 1-(2,4-dimethoxyphenyl)-5-iodo-3-(methylsulfonyl)-1H-pyrazole-4-carboxylate | C15H17IN2O6S

Ethyl 1-(2,4-dimethoxyphenyl)-5-iodo-3-(methylsulfonyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC15H17IN2O6S
  • Average mass480.275 Da
  • Monoisotopic mass479.985199 Da
  • ChemSpider ID122632973

More details:

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

1-(2,4-Diméthoxyphényl)-5-iodo-3-(méthylsulfonyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-(2,4-dimethoxyphenyl)-5-iodo-3-(methylsulfonyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-(2,4-dimethoxyphenyl)-5-iodo-3-(methylsulfonyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-(2,4-dimethoxyphenyl)-5-iod-3-(methylsulfonyl)-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: 614.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.7±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 100.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.36
ACD/KOC (pH 5.5): 767.87
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.36
ACD/KOC (pH 7.4): 767.87
Polar Surface Area: 105 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 283.7±7.0 cm3

Click to predict properties on the Chemicalize site


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