ChemSpider 2D Image | 3-{[(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]methyl}-5-methyl-1,2,4-oxadiazole | C12H11ClN2O5S

3-{[(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]methyl}-5-methyl-1,2,4-oxadiazole

  • Molecular FormulaC12H11ClN2O5S
  • Average mass330.744 Da
  • Monoisotopic mass330.007721 Da
  • ChemSpider ID30488766

More details:






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

1,2,4-Oxadiazole, 3-[[(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]methyl]-5-methyl- [ACD/Index Name]
3-{[(7-Chlor-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]methyl}-5-methyl-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-{[(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]methyl}-5-methyl-1,2,4-oxadiazole [ACD/IUPAC Name]
3-{[(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]méthyl}-5-méthyl-1,2,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 560.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 292.5±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.13
ACD/KOC (pH 5.5): 207.75
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.13
ACD/KOC (pH 7.4): 207.75
Polar Surface Area: 100 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 218.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement