ChemSpider 2D Image | [2-(2-Thienyl)-1,3-oxazol-4-yl]methyl 4-(methylsulfonyl)-3-nitrobenzoate | C16H12N2O7S2

[2-(2-Thienyl)-1,3-oxazol-4-yl]methyl 4-(methylsulfonyl)-3-nitrobenzoate

  • Molecular FormulaC16H12N2O7S2
  • Average mass408.406 Da
  • Monoisotopic mass408.008606 Da
  • ChemSpider ID30632775

More details:

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

[2-(2-Thienyl)-1,3-oxazol-4-yl]methyl 4-(methylsulfonyl)-3-nitrobenzoate [ACD/IUPAC Name]
[2-(2-Thienyl)-1,3-oxazol-4-yl]methyl-4-(methylsulfonyl)-3-nitrobenzoat [German] [ACD/IUPAC Name]
4-(Méthylsulfonyl)-3-nitrobenzoate de [2-(2-thiényl)-1,3-oxazol-4-yl]méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(methylsulfonyl)-3-nitro-, [2-(2-thienyl)-4-oxazolyl]methyl ester [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: 667.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.6±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.17
ACD/KOC (pH 5.5): 319.87
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.17
ACD/KOC (pH 7.4): 319.87
Polar Surface Area: 169 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 272.4±3.0 cm3

Click to predict properties on the Chemicalize site


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