ChemSpider 2D Image | 1-(4-Nitro-1,2,5-oxadiazol-3-yl)ethanone | C4H3N3O4

1-(4-Nitro-1,2,5-oxadiazol-3-yl)ethanone

  • Molecular FormulaC4H3N3O4
  • Average mass157.084 Da
  • Monoisotopic mass157.012360 Da
  • ChemSpider ID24193415

More details:

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

1-(4-nitro-1,2,5-oxadiazol-3-yl)ethan-1-one
1-(4-Nitro-1,2,5-oxadiazol-3-yl)ethanon [German] [ACD/IUPAC Name]
1-(4-Nitro-1,2,5-oxadiazol-3-yl)ethanone [ACD/IUPAC Name]
1-(4-Nitro-1,2,5-oxadiazol-3-yl)éthanone [French] [ACD/IUPAC Name]
159014-10-5 [RN]
Ethanone, 1-(4-nitro-1,2,5-oxadiazol-3-yl)- [ACD/Index Name]
Ethanone, 1-(4-nitro-1,2,5-oxadiazol-3-yl)- (9CI)
MFCD18829577

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

Density: 1.5±0.1 g/cm3
Boiling Point: 307.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 140.0±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 31.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 54.42
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 54.42
Polar Surface Area: 102 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 102.0±3.0 cm3

Click to predict properties on the Chemicalize site


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