ChemSpider 2D Image | [5-(4-Chlorophenyl)-1,2-oxazol-3-yl]{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}methanone | C21H16ClF3N4O4

[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}methanone

  • Molecular FormulaC21H16ClF3N4O4
  • Average mass480.824 Da
  • Monoisotopic mass480.081207 Da
  • ChemSpider ID22101908

More details:

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

[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[5-(4-Chlorophényl)-1,2-oxazol-3-yl]{4-[2-nitro-4-(trifluorométhyl)phényl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
[5-(4-Chlorphenyl)-1,2-oxazol-3-yl]{4-[2-nitro-4-(trifluormethyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [5-(4-chlorophenyl)-3-isoxazolyl][4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.2±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1142.55
ACD/KOC (pH 5.5): 5375.60
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1142.55
ACD/KOC (pH 7.4): 5375.61
Polar Surface Area: 95 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 328.4±3.0 cm3

Click to predict properties on the Chemicalize site


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