ChemSpider 2D Image | Ethyl 5-(2-bromobenzyl)-1,2,4-oxadiazole-3-carboxylate | C12H11BrN2O3

Ethyl 5-(2-bromobenzyl)-1,2,4-oxadiazole-3-carboxylate

  • Molecular FormulaC12H11BrN2O3
  • Average mass311.131 Da
  • Monoisotopic mass309.995300 Da
  • ChemSpider ID22547601

More details:

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

1,2,4-Oxadiazole-3-carboxylic acid, 5-[(2-bromophenyl)methyl]-, ethyl ester [ACD/Index Name]
1216696-40-0 [RN]
5-(2-Bromobenzyl)-1,2,4-oxadiazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(2-bromobenzyl)-1,2,4-oxadiazole-3-carboxylate [ACD/IUPAC Name]
ethyl 5-[(2-bromophenyl)methyl]-1,2,4-oxadiazole-3-carboxylate
Ethyl-5-(2-brombenzyl)-1,2,4-oxadiazol-3-carboxylat [German] [ACD/IUPAC Name]
MFCD11100106 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 419.3±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.4±29.3 °C
Index of Refraction: 1.567
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.76
ACD/KOC (pH 5.5): 870.25
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.76
ACD/KOC (pH 7.4): 870.25
Polar Surface Area: 65 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 208.7±3.0 cm3

Click to predict properties on the Chemicalize site


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