ChemSpider 2D Image | 3-{[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-benzoxazol-2(3H)-one | C16H10N4O5

3-{[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC16H10N4O5
  • Average mass338.274 Da
  • Monoisotopic mass338.065125 Da
  • ChemSpider ID30320139

More details:

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

2(3H)-Benzoxazolone, 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]
3-{[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
3-{[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-{[3-(3-Nitrophényl)-1,2,4-oxadiazol-5-yl]méthyl}-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC 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: 550.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.6±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.11
ACD/KOC (pH 5.5): 565.14
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.11
ACD/KOC (pH 7.4): 565.14
Polar Surface Area: 114 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 75.4±3.0 dyne/cm
Molar Volume: 221.8±3.0 cm3

Click to predict properties on the Chemicalize site


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