ChemSpider 2D Image | 3-{[(3,4-Difluorophenyl)sulfinyl]methyl}-1-isopropyl-1H-pyrazole | C13H14F2N2OS

3-{[(3,4-Difluorophenyl)sulfinyl]methyl}-1-isopropyl-1H-pyrazole

  • Molecular FormulaC13H14F2N2OS
  • Average mass284.325 Da
  • Monoisotopic mass284.079498 Da
  • ChemSpider ID30124566

More details:

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

1H-Pyrazole, 3-[[(3,4-difluorophenyl)sulfinyl]methyl]-1-(1-methylethyl)- [ACD/Index Name]
3-{[(3,4-Difluorophenyl)sulfinyl]methyl}-1-isopropyl-1H-pyrazole [ACD/IUPAC Name]
3-{[(3,4-Difluorophényl)sulfinyl]méthyl}-1-isopropyl-1H-pyrazole [French] [ACD/IUPAC Name]
3-{[(3,4-Difluorphenyl)sulfinyl]methyl}-1-isopropyl-1H-pyrazol [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 434.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 216.4±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 72.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.86
ACD/KOC (pH 5.5): 1089.48
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.87
ACD/KOC (pH 7.4): 1089.50
Polar Surface Area: 54 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 213.6±7.0 cm3

Click to predict properties on the Chemicalize site


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