ChemSpider 2D Image | [3-(3-Fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid | C11H9FN2O4

[3-(3-Fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid

  • Molecular FormulaC11H9FN2O4
  • Average mass252.199 Da
  • Monoisotopic mass252.054642 Da
  • ChemSpider ID24800219

More details:

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

[3-(3-Fluor-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]essigsäure [German] [ACD/IUPAC Name]
[3-(3-Fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid [ACD/IUPAC Name]
1,2,4-Oxadiazole-5-acetic acid, 3-(3-fluoro-4-methoxyphenyl)- [ACD/Index Name]
Acide [3-(3-fluoro-4-méthoxyphényl)-1,2,4-oxadiazol-5-yl]acétique [French] [ACD/IUPAC Name]
[3-(3-Fluoro-4-methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 462.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 233.5±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 57.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 179.6±3.0 cm3

Click to predict properties on the Chemicalize site


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