ChemSpider 2D Image | 2-(4-Methoxyphenyl)-5-[1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1,3,4-oxadiazole | C17H12N6O4

2-(4-Methoxyphenyl)-5-[1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1,3,4-oxadiazole

  • Molecular FormulaC17H12N6O4
  • Average mass364.315 Da
  • Monoisotopic mass364.092010 Da
  • ChemSpider ID81139972

More details:

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

1,3,4-Oxadiazole, 2-(4-methoxyphenyl)-5-[1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
2-(4-Methoxyphenyl)-5-[1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-(4-Methoxyphenyl)-5-[1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1,3,4-oxadiazole [ACD/IUPAC Name]
2-(4-Méthoxyphényl)-5-[1-(3-nitrophényl)-1H-1,2,3-triazol-4-yl]-1,3,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 610.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.8±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 95.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.64
ACD/KOC (pH 5.5): 848.42
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.64
ACD/KOC (pH 7.4): 848.42
Polar Surface Area: 125 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 239.2±7.0 cm3

Click to predict properties on the Chemicalize site


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