ChemSpider 2D Image | (2-Chloro-5-nitrophenyl)(3-{5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}-1-piperidinyl)methanone | C21H16ClF3N4O4

(2-Chloro-5-nitrophenyl)(3-{5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}-1-piperidinyl)methanone

  • Molecular FormulaC21H16ClF3N4O4
  • Average mass480.824 Da
  • Monoisotopic mass480.081207 Da
  • ChemSpider ID58483761

More details:

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

(2-Chlor-5-nitrophenyl)(3-{5-[4-(trifluormethyl)phenyl]-1,3,4-oxadiazol-2-yl}-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
(2-Chloro-5-nitrophenyl)(3-{5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}-1-piperidinyl)methanone [ACD/IUPAC Name]
(2-Chloro-5-nitrophényl)(3-{5-[4-(trifluorométhyl)phényl]-1,3,4-oxadiazol-2-yl}-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, (2-chloro-5-nitrophenyl)[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-piperidinyl]- [ACD/Index Name]
(2-chloro-5-nitrophenyl)(3-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 622.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.1±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 766.45
ACD/KOC (pH 5.5): 4039.37
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 766.45
ACD/KOC (pH 7.4): 4039.37
Polar Surface Area: 105 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 330.5±3.0 cm3

Click to predict properties on the Chemicalize site


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