ChemSpider 2D Image | 3-{[(7-Chloro-1,3-benzodioxol-5-yl)methyl]sulfonyl}-4-methyl-4H-1,2,4-triazole | C11H10ClN3O4S

3-{[(7-Chloro-1,3-benzodioxol-5-yl)methyl]sulfonyl}-4-methyl-4H-1,2,4-triazole

  • Molecular FormulaC11H10ClN3O4S
  • Average mass315.733 Da
  • Monoisotopic mass315.008057 Da
  • ChemSpider ID26079621

More details:

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

3-{[(7-Chlor-1,3-benzodioxol-5-yl)methyl]sulfonyl}-4-methyl-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-{[(7-Chloro-1,3-benzodioxol-5-yl)methyl]sulfonyl}-4-methyl-4H-1,2,4-triazole [ACD/IUPAC Name]
3-{[(7-Chloro-1,3-benzodioxol-5-yl)méthyl]sulfonyl}-4-méthyl-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[[(7-chloro-1,3-benzodioxol-5-yl)methyl]sulfonyl]-4-methyl- [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: 541.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 72.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 115.08
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.32
ACD/KOC (pH 7.4): 115.08
Polar Surface Area: 92 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 65.3±7.0 dyne/cm
Molar Volume: 186.2±7.0 cm3

Click to predict properties on the Chemicalize site


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