ChemSpider 2D Image | Ethyl 1-(3-iodobenzyl)-3-(methylsulfonyl)-1H-pyrazole-4-carboxylate | C14H15IN2O4S

Ethyl 1-(3-iodobenzyl)-3-(methylsulfonyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H15IN2O4S
  • Average mass434.249 Da
  • Monoisotopic mass433.979706 Da
  • ChemSpider ID122565025

More details:

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

1-(3-Iodobenzyl)-3-(méthylsulfonyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[(3-iodophenyl)methyl]-3-(methylsulfonyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-(3-iodobenzyl)-3-(methylsulfonyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-(3-iodbenzyl)-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: 599.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 93.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.75
ACD/KOC (pH 5.5): 688.83
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.75
ACD/KOC (pH 7.4): 688.83
Polar Surface Area: 87 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 256.4±7.0 cm3

Click to predict properties on the Chemicalize site


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