ChemSpider 2D Image | [5-(2-Furyl)-1,2-oxazol-3-yl]methyl methyl 5-nitroisophthalate | C17H12N2O8

[5-(2-Furyl)-1,2-oxazol-3-yl]methyl methyl 5-nitroisophthalate

  • Molecular FormulaC17H12N2O8
  • Average mass372.286 Da
  • Monoisotopic mass372.059357 Da
  • ChemSpider ID30571173

More details:

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

[5-(2-Furyl)-1,2-oxazol-3-yl]methyl methyl 5-nitroisophthalate [ACD/IUPAC Name]
[5-(2-Furyl)-1,2-oxazol-3-yl]methyl-methyl-5-nitroisophthalat [German] [ACD/IUPAC Name]
1,3-Benzenedicarboxylic acid, 5-nitro-, [5-(2-furanyl)-3-isoxazolyl]methyl methyl ester [ACD/Index Name]
5-Nitroisophtalate de [5-(2-furyl)-1,2-oxazol-3-yl]méthyle et de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.1±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.59
ACD/KOC (pH 5.5): 910.29
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.59
ACD/KOC (pH 7.4): 910.29
Polar Surface Area: 138 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 261.9±3.0 cm3

Click to predict properties on the Chemicalize site


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