ChemSpider 2D Image | 2,2'-[1-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-3,5-diyl]diphenol | C20H12Cl3N3O2

2,2'-[1-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-3,5-diyl]diphenol

  • Molecular FormulaC20H12Cl3N3O2
  • Average mass432.687 Da
  • Monoisotopic mass430.999512 Da
  • ChemSpider ID21119181

More details:

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

2,2'-[1-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-3,5-diyl]diphenol [ACD/IUPAC Name]
2,2'-[1-(2,4,6-Trichlorophényl)-1H-1,2,4-triazole-3,5-diyl]diphénol [French] [ACD/IUPAC Name]
2,2'-[1-(2,4,6-Trichlorphenyl)-1H-1,2,4-triazol-3,5-diyl]diphenol [German] [ACD/IUPAC Name]
Phenol, 2,2'-[1-(2,4,6-trichlorophenyl)-1H-1,2,4-triazole-3,5-diyl]bis- [ACD/Index 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: 645.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 344.2±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.57
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 71962.73
ACD/KOC (pH 5.5): 103873.16
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 29631.07
ACD/KOC (pH 7.4): 42770.38
Polar Surface Area: 71 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 283.1±7.0 cm3

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