ChemSpider 2D Image | Methyl 5-bromo-4-chloro-1H-imidazole-2-carboxylate | C5H4BrClN2O2

Methyl 5-bromo-4-chloro-1H-imidazole-2-carboxylate

  • Molecular FormulaC5H4BrClN2O2
  • Average mass239.454 Da
  • Monoisotopic mass237.914459 Da
  • ChemSpider ID73100339

More details:

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

1H-Imidazole-2-carboxylic acid, 5-bromo-4-chloro-, methyl ester [ACD/Index Name]
5-Bromo-4-chloro-1H-imidazole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-4-chloro-1H-imidazole-2-carboxylate [ACD/IUPAC Name]
Methyl-5-brom-4-chlor-1H-imidazol-2-carboxylat [German] [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: 368.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 176.5±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 43.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.11
ACD/KOC (pH 5.5): 149.73
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.04
Polar Surface Area: 55 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 127.0±3.0 cm3

Click to predict properties on the Chemicalize site


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