ChemSpider 2D Image | Methyl 2-{[(5-chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]oxy}benzoate | C12H11ClN2O5S

Methyl 2-{[(5-chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]oxy}benzoate

  • Molecular FormulaC12H11ClN2O5S
  • Average mass330.744 Da
  • Monoisotopic mass330.007721 Da
  • ChemSpider ID22554366

More details:

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

2-{[(5-Chloro-1-méthyl-1H-imidazol-4-yl)sulfonyl]oxy}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(5-chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]oxy]-, methyl ester [ACD/Index Name]
Methyl 2-{[(5-chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]oxy}benzoate [ACD/IUPAC Name]
Methyl-2-{[(5-chlor-1-methyl-1H-imidazol-4-yl)sulfonyl]oxy}benzoat [German] [ACD/IUPAC 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: 561.0±50.0 °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: 293.1±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 77.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.65
ACD/KOC (pH 5.5): 271.61
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.65
ACD/KOC (pH 7.4): 271.61
Polar Surface Area: 96 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 222.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement