ChemSpider 2D Image | 3-(4-Fluorobenzyl)-5-[2-(methylsulfonyl)ethoxy]-1,2,4-oxadiazole | C12H13FN2O4S

3-(4-Fluorobenzyl)-5-[2-(methylsulfonyl)ethoxy]-1,2,4-oxadiazole

  • Molecular FormulaC12H13FN2O4S
  • Average mass300.306 Da
  • Monoisotopic mass300.058014 Da
  • ChemSpider ID30481538

More details:

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

1,2,4-Oxadiazole, 3-[(4-fluorophenyl)methyl]-5-[2-(methylsulfonyl)ethoxy]- [ACD/Index Name]
3-(4-Fluorbenzyl)-5-[2-(methylsulfonyl)ethoxy]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-5-[2-(methylsulfonyl)ethoxy]-1,2,4-oxadiazole [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-5-[2-(méthylsulfonyl)éthoxy]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 513.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 264.5±32.9 °C
Index of Refraction: 1.536
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.59
ACD/KOC (pH 5.5): 103.58
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.59
ACD/KOC (pH 7.4): 103.58
Polar Surface Area: 91 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 220.3±3.0 cm3

Click to predict properties on the Chemicalize site


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