ChemSpider 2D Image | 3-{[4-(Bromomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-(2-thienyl)-1,2,4-oxadiazole | C10H8BrN5OS

3-{[4-(Bromomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-(2-thienyl)-1,2,4-oxadiazole

  • Molecular FormulaC10H8BrN5OS
  • Average mass326.172 Da
  • Monoisotopic mass324.963287 Da
  • ChemSpider ID34190563

More details:

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

1,2,4-Oxadiazole, 3-[[4-(bromomethyl)-1H-1,2,3-triazol-1-yl]methyl]-5-(2-thienyl)- [ACD/Index Name]
3-{[4-(Brommethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-(2-thienyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-{[4-(Bromomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-(2-thienyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
3-{[4-(Bromométhyl)-1H-1,2,3-triazol-1-yl]méthyl}-5-(2-thiényl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 514.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.6±32.9 °C
Index of Refraction: 1.810
Molar Refractivity: 73.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.65
ACD/KOC (pH 5.5): 304.00
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.65
ACD/KOC (pH 7.4): 304.00
Polar Surface Area: 98 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 73.4±7.0 dyne/cm
Molar Volume: 171.3±7.0 cm3

Click to predict properties on the Chemicalize site


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