ChemSpider 2D Image | 2-{[3-(2-Methyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoethyl 6-nitro-1,3-benzodioxole-5-carboxylate | C17H17N3O8

2-{[3-(2-Methyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoethyl 6-nitro-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC17H17N3O8
  • Average mass391.332 Da
  • Monoisotopic mass391.101563 Da
  • ChemSpider ID22035456

More details:

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

1,3-Benzodioxole-5-carboxylic acid, 6-nitro-, 2-[[3-(1,1-dimethylethyl)-5-isoxazolyl]amino]-2-oxoethyl ester [ACD/Index Name]
2-{[3-(2-Methyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoethyl 6-nitro-1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
2-{[3-(2-Methyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoethyl-6-nitro-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]
6-Nitro-1,3-benzodioxole-5-carboxylate de 2-{[3-(2-méthyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoéthyle [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: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.52
ACD/KOC (pH 5.5): 429.96
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.51
ACD/KOC (pH 7.4): 429.80
Polar Surface Area: 146 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 270.5±3.0 cm3

Click to predict properties on the Chemicalize site


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