ChemSpider 2D Image | 5-({[(7-Chloro-1,3-benzodioxol-5-yl)methyl]sulfonyl}methyl)-3-methyl-1,2,4-oxadiazole | C12H11ClN2O5S

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

  • Molecular FormulaC12H11ClN2O5S
  • Average mass330.744 Da
  • Monoisotopic mass330.007721 Da
  • ChemSpider ID30145197

More details:






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

1,2,4-Oxadiazole, 5-[[[(7-chloro-1,3-benzodioxol-5-yl)methyl]sulfonyl]methyl]-3-methyl- [ACD/Index Name]
5-({[(7-Chlor-1,3-benzodioxol-5-yl)methyl]sulfonyl}methyl)-3-methyl-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-({[(7-Chloro-1,3-benzodioxol-5-yl)methyl]sulfonyl}methyl)-3-methyl-1,2,4-oxadiazole [ACD/IUPAC Name]
5-({[(7-Chloro-1,3-benzodioxol-5-yl)méthyl]sulfonyl}méthyl)-3-méthyl-1,2,4-oxadiazole [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 579.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 304.3±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.22
ACD/KOC (pH 5.5): 157.21
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.22
ACD/KOC (pH 7.4): 157.21
Polar Surface Area: 100 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 212.6±3.0 cm3

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