ChemSpider 2D Image | 4-{1-[5-Iodo-4-(methylsulfonyl)-1H-pyrazol-1-yl]ethyl}phenyl acetate | C14H15IN2O4S

4-{1-[5-Iodo-4-(methylsulfonyl)-1H-pyrazol-1-yl]ethyl}phenyl acetate

  • Molecular FormulaC14H15IN2O4S
  • Average mass434.249 Da
  • Monoisotopic mass433.979706 Da
  • ChemSpider ID117111583

More details:

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

4-{1-[5-Iod-4-(methylsulfonyl)-1H-pyrazol-1-yl]ethyl}phenyl-acetat [German] [ACD/IUPAC Name]
4-{1-[5-Iodo-4-(methylsulfonyl)-1H-pyrazol-1-yl]ethyl}phenyl acetate [ACD/IUPAC Name]
Acétate de 4-{1-[5-iodo-4-(méthylsulfonyl)-1H-pyrazol-1-yl]éthyl}phényle [French] [ACD/IUPAC Name]
Phenol, 4-[1-[5-iodo-4-(methylsulfonyl)-1H-pyrazol-1-yl]ethyl]-, acetate (ester) [ACD/Index 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: 573.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.5±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.37
ACD/KOC (pH 5.5): 311.55
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.37
ACD/KOC (pH 7.4): 311.55
Polar Surface Area: 87 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 255.6±7.0 cm3

Click to predict properties on the Chemicalize site


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