ChemSpider 2D Image | (~2~H_3_)Methyl 4-[(4,5-~2~H_2_)-1H-imidazol-2-yl]benzoate | C11H5D5N2O2

(2H3)Methyl 4-[(4,5-2H2)-1H-imidazol-2-yl]benzoate

  • Molecular FormulaC11H5D5N2O2
  • Average mass207.240 Da
  • Monoisotopic mass207.105606 Da
  • ChemSpider ID111329785

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl 4-[(4,5-2H2)-1H-imidazol-2-yl]benzoate [ACD/IUPAC Name]
(2H3)Methyl-4-[(4,5-2H2)-1H-imidazol-2-yl]benzoat [German] [ACD/IUPAC Name]
4-[(4,5-2H2)-1H-Imidazol-2-yl]benzoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1H-imidazol-2-yl-4,5-d2)-, methyl-d3 ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 409.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.6±24.0 °C
Index of Refraction: 1.587
Molar Refractivity: 55.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 52.95
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.19
ACD/KOC (pH 7.4): 262.68
Polar Surface Area: 55 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 164.2±3.0 cm3

Click to predict properties on the Chemicalize site


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