ChemSpider 2D Image | 4-Allyl-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(pentafluorobenzyl)sulfanyl]-4H-1,2,4-triazole | C20H14F5N3O2S

4-Allyl-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(pentafluorobenzyl)sulfanyl]-4H-1,2,4-triazole

  • Molecular FormulaC20H14F5N3O2S
  • Average mass455.401 Da
  • Monoisotopic mass455.072693 Da
  • ChemSpider ID34000575

More details:

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

4-Allyl-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(pentafluorbenzyl)sulfanyl]-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4-Allyl-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(pentafluorobenzyl)sulfanyl]-4H-1,2,4-triazole [ACD/IUPAC Name]
4-Allyl-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(pentafluorobenzyl)sulfanyl]-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[[(2,3,4,5,6-pentafluorophenyl)methyl]thio]-4-(2-propen-1-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 546.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 104.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1059.64
ACD/KOC (pH 5.5): 5093.39
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1059.65
ACD/KOC (pH 7.4): 5093.45
Polar Surface Area: 74 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 301.6±7.0 cm3

Click to predict properties on the Chemicalize site


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