ChemSpider 2D Image | 4-[3,5-Bis(2-oxidophenyl)-1H-1,2,4-triazol-1-yl]benzoate | C21H12N3O4

4-[3,5-Bis(2-oxidophenyl)-1H-1,2,4-triazol-1-yl]benzoate

  • Molecular FormulaC21H12N3O4
  • Average mass370.339 Da
  • Monoisotopic mass370.084442 Da
  • ChemSpider ID95763424

  • Charge - Charge

More details:

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

4-[3,5-Bis(2-oxidophenyl)-1H-1,2,4-triazol-1-yl]benzoat [German] [ACD/IUPAC Name]
4-[3,5-Bis(2-oxidophenyl)-1H-1,2,4-triazol-1-yl]benzoate [ACD/IUPAC Name]
4-[3,5-Bis(2-oxydophényl)-1H-1,2,4-triazol-1-yl]benzoate [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-, ion(3-) [ACD/Index Name]

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

Density:
Boiling Point: 672.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.3±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 10.98
ACD/KOC (pH 5.5): 53.34
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 117 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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