ChemSpider 2D Image | 1-(2,4-Dimethylbenzyl)-5-iodo-3-(methylsulfonyl)-1H-pyrazole-4-carboxylic acid | C14H15IN2O4S

1-(2,4-Dimethylbenzyl)-5-iodo-3-(methylsulfonyl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC14H15IN2O4S
  • Average mass434.249 Da
  • Monoisotopic mass433.979706 Da
  • ChemSpider ID122612023

More details:

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

1-(2,4-Dimethylbenzyl)-5-iod-3-(methylsulfonyl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2,4-Dimethylbenzyl)-5-iodo-3-(methylsulfonyl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[(2,4-dimethylphenyl)methyl]-5-iodo-3-(methylsulfonyl)- [ACD/Index Name]
Acide 1-(2,4-diméthylbenzyl)-5-iodo-3-(méthylsulfonyl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.6±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 92.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 246.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement