ChemSpider 2D Image | Methyl 2-bromo-1-methyl-5-nitro-1H-imidazole-4-carboxylate | C6H6BrN3O4

Methyl 2-bromo-1-methyl-5-nitro-1H-imidazole-4-carboxylate

  • Molecular FormulaC6H6BrN3O4
  • Average mass264.034 Da
  • Monoisotopic mass262.954163 Da
  • ChemSpider ID62129642

More details:

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

1H-Imidazole-4-carboxylic acid, 2-bromo-1-methyl-5-nitro-, methyl ester [ACD/Index Name]
2-Bromo-1-méthyl-5-nitro-1H-imidazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-bromo-1-methyl-5-nitro-1H-imidazole-4-carboxylate [ACD/IUPAC Name]
Methyl-2-brom-1-methyl-5-nitro-1H-imidazol-4-carboxylat [German] [ACD/IUPAC Name]
2090932-26-4 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 396.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.3±28.7 °C
Index of Refraction: 1.651
Molar Refractivity: 49.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 64.59
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 64.59
Polar Surface Area: 90 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 136.2±7.0 cm3

Click to predict properties on the Chemicalize site


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