ChemSpider 2D Image | Methyl (2E)-(methoxyimino){2-[{[(E)-{1-[3-(trifluoromethyl)(~2~H_4_)phenyl]ethylidene}amino]oxy}(~2~H_2_)methyl]phenyl}acetate | C20H13D6F3N2O4

Methyl (2E)-(methoxyimino){2-[{[(E)-{1-[3-(trifluoromethyl)(2H4)phenyl]ethylidene}amino]oxy}(2H2)methyl]phenyl}acetate

  • Molecular FormulaC20H13D6F3N2O4
  • Average mass414.408 Da
  • Monoisotopic mass414.167358 Da
  • ChemSpider ID58794454

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-(Méthoxyimino){2-[{[(E)-{1-[3-(trifluorométhyl)(2H4)phényl]éthylidène}amino]oxy}(2H2)méthyl]phényl}acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(methoxyimino)-2-[[[[(1E)-1-[5-(trifluoromethyl)phenyl-2,3,4,6-d4]ethylidene]amino]oxy]methyl-d2]-, methyl ester, (αE)- [ACD/Index Name]
Methyl (2E)-(methoxyimino){2-[{[(E)-{1-[3-(trifluoromethyl)(2H4)phenyl]ethylidene}amino]oxy}(2H2)methyl]phenyl}acetate [ACD/IUPAC Name]
Methyl-(2E)-(methoxyimino){2-[{[(E)-{1-[3-(trifluormethyl)(2H4)phenyl]ethyliden}amino]oxy}(2H2)methyl]phenyl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 470.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.3±31.5 °C
Index of Refraction: 1.511
Molar Refractivity: 100.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2879.25
ACD/KOC (pH 5.5): 10417.10
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2879.25
ACD/KOC (pH 7.4): 10417.10
Polar Surface Area: 69 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 34.6±7.0 dyne/cm
Molar Volume: 335.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement