ChemSpider 2D Image | 5-Isopropyl-1-(2,4,6-trichlorophenyl)-1H-1,2,4-triazole-3-carboxylic acid | C12H10Cl3N3O2

5-Isopropyl-1-(2,4,6-trichlorophenyl)-1H-1,2,4-triazole-3-carboxylic acid

  • Molecular FormulaC12H10Cl3N3O2
  • Average mass334.586 Da
  • Monoisotopic mass332.983856 Da
  • ChemSpider ID41573348

More details:

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

1H-1,2,4-Triazole-3-carboxylic acid, 5-(1-methylethyl)-1-(2,4,6-trichlorophenyl)- [ACD/Index Name]
5-Isopropyl-1-(2,4,6-trichlorophenyl)-1H-1,2,4-triazole-3-carboxylic acid [ACD/IUPAC Name]
5-Isopropyl-1-(2,4,6-trichlorphenyl)-1H-1,2,4-triazol-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-isopropyl-1-(2,4,6-trichlorophényl)-1H-1,2,4-triazole-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 527.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.5±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 4.83
ACD/KOC (pH 5.5): 25.53
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.13
Polar Surface Area: 68 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 209.8±7.0 cm3

Click to predict properties on the Chemicalize site


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