ChemSpider 2D Image | 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine | C20H17ClF3N5O3

1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

  • Molecular FormulaC20H17ClF3N5O3
  • Average mass467.829 Da
  • Monoisotopic mass467.097198 Da
  • ChemSpider ID21769299

More details:

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

1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine [ACD/IUPAC Name]
1-{[3-(4-Chlorophényl)-1,2,4-oxadiazol-5-yl]méthyl}-4-[2-nitro-4-(trifluorométhyl)phényl]pipérazine [French] [ACD/IUPAC Name]
1-{[3-(4-Chlorphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[2-nitro-4-(trifluormethyl)phenyl]piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 574.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.0±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9332.72
ACD/KOC (pH 5.5): 24076.65
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9462.42
ACD/KOC (pH 7.4): 24411.30
Polar Surface Area: 91 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 322.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement