ChemSpider 2D Image | {3-[(4-Fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl 5-bromo-2-chlorobenzoate | C17H11BrClFN2O4

{3-[(4-Fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl 5-bromo-2-chlorobenzoate

  • Molecular FormulaC17H11BrClFN2O4
  • Average mass441.636 Da
  • Monoisotopic mass439.957458 Da
  • ChemSpider ID70824022

More details:

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

{3-[(4-Fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl 5-bromo-2-chlorobenzoate [ACD/IUPAC Name]
{3-[(4-Fluorphenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl-5-brom-2-chlorbenzoat [German] [ACD/IUPAC Name]
5-Bromo-2-chlorobenzoate de {3-[(4-fluorophénoxy)méthyl]-1,2,4-oxadiazol-5-yl}méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-chloro-, [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 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: 579.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 304.0±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1283.01
ACD/KOC (pH 5.5): 5840.76
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1283.01
ACD/KOC (pH 7.4): 5840.76
Polar Surface Area: 74 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 274.3±3.0 cm3

Click to predict properties on the Chemicalize site


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