ChemSpider 2D Image | 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole | C16H11N3O5

2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole

  • Molecular FormulaC16H11N3O5
  • Average mass325.276 Da
  • Monoisotopic mass325.069885 Da
  • ChemSpider ID26628595

More details:

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

1,3,4-Oxadiazole, 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)- [ACD/Index Name]
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole [ACD/IUPAC Name]
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(2-nitrophényl)-1,3,4-oxadiazole [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: 530.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 274.8±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.13
ACD/KOC (pH 5.5): 816.59
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.13
ACD/KOC (pH 7.4): 816.59
Polar Surface Area: 103 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 230.0±3.0 cm3

Click to predict properties on the Chemicalize site


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