ChemSpider 2D Image | 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-bromobenzoate | C13H12BrN3O4

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-bromobenzoate

  • Molecular FormulaC13H12BrN3O4
  • Average mass354.156 Da
  • Monoisotopic mass353.001099 Da
  • ChemSpider ID24742263

More details:

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

102274-42-0 [RN]
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-bromobenzoate [ACD/IUPAC Name]
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl-3-brombenzoat [German] [ACD/IUPAC Name]
3-Bromobenzoate de 2-(2-méthyl-5-nitro-1H-imidazol-1-yl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 528.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.5±25.9 °C
Index of Refraction: 1.639
Molar Refractivity: 79.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.23
ACD/KOC (pH 5.5): 852.41
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.29
ACD/KOC (pH 7.4): 853.02
Polar Surface Area: 90 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 221.2±7.0 cm3

Click to predict properties on the Chemicalize site


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