ChemSpider 2D Image | 1-[2-(4-Iodophenoxy)ethyl]-1H-1,2,3-triazole-4-carboxylic acid | C11H10IN3O3

1-[2-(4-Iodophenoxy)ethyl]-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC11H10IN3O3
  • Average mass359.120 Da
  • Monoisotopic mass358.976685 Da
  • ChemSpider ID34469808

More details:

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

1-[2-(4-Iodophenoxy)ethyl]-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1-[2-(4-Iodphenoxy)ethyl]-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[2-(4-iodophenoxy)ethyl]- [ACD/Index Name]
Acide 1-[2-(4-iodophénoxy)éthyl]-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 537.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 278.9±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 74.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.52
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 191.6±7.0 cm3

Click to predict properties on the Chemicalize site


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