ChemSpider 2D Image | 3-{5-[2-Fluoro(~2~H_4_)phenyl]-1,2,4-oxadiazol-3-yl}benzoic acid | C15H5D4FN2O3

3-{5-[2-Fluoro(2H4)phenyl]-1,2,4-oxadiazol-3-yl}benzoic acid

  • Molecular FormulaC15H5D4FN2O3
  • Average mass288.267 Da
  • Monoisotopic mass288.084839 Da
  • ChemSpider ID107439175

  • Non-standard isotope - Non-standard isotope

More details:

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

3-{5-[2-Fluor(2H4)phenyl]-1,2,4-oxadiazol-3-yl}benzoesäure [German] [ACD/IUPAC Name]
3-{5-[2-Fluoro(2H4)phenyl]-1,2,4-oxadiazol-3-yl}benzoic acid [ACD/IUPAC Name]
Acide 3-{5-[2-fluoro(2H4)phényl]-1,2,4-oxadiazol-3-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[5-(6-fluorophenyl-2,3,4,5-d4)-1,2,4-oxadiazol-3-yl]- [ACD/Index Name]
1922064-61-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 503.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 258.4±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 23.11
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 76 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 206.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement