ChemSpider 2D Image | 1-{[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-azetidinecarboxylic acid | C13H12ClN3O3

1-{[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-azetidinecarboxylic acid

  • Molecular FormulaC13H12ClN3O3
  • Average mass293.706 Da
  • Monoisotopic mass293.056732 Da
  • ChemSpider ID44415277

More details:






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

1-{[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-azetidinecarboxylic acid [ACD/IUPAC Name]
1-{[3-(3-Chlorphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]
Acide 1-{[3-(3-chlorophényl)-1,2,4-oxadiazol-5-yl]méthyl}-3-azétidinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 503.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 258.1±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.43
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 199.1±3.0 cm3

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