ChemSpider 2D Image | Methyl (2E)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)-2-quinoxalinyl]oxy}methyl)phenyl]acrylate | C22H19F3N2O4

Methyl (2E)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)-2-quinoxalinyl]oxy}methyl)phenyl]acrylate

  • Molecular FormulaC22H19F3N2O4
  • Average mass432.392 Da
  • Monoisotopic mass432.129700 Da
  • ChemSpider ID35034576

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Méthoxy-2-[2-({[6-méthyl-3-(trifluorométhyl)-2-quinoxalinyl]oxy}méthyl)phényl]acrylate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(methoxymethylene)-2-[[[6-methyl-3-(trifluoromethyl)-2-quinoxalinyl]oxy]methyl]-, methyl ester, (αE)- [ACD/Index Name]
Methyl (2E)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)-2-quinoxalinyl]oxy}methyl)phenyl]acrylate [ACD/IUPAC Name]
Methyl (2e)-3-Methoxy-2-[2-({[6-Methyl-3-(Trifluoromethyl)quinoxalin-2-Yl]oxy}methyl)phenyl]prop-2-Enoate
Methyl-(2E)-3-methoxy-2-[2-({[6-methyl-3-(trifluormethyl)-2-chinoxalinyl]oxy}methyl)phenyl]acrylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4522237/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 541.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.0±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3448.82
ACD/KOC (pH 5.5): 11853.84
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3448.82
ACD/KOC (pH 7.4): 11853.84
Polar Surface Area: 71 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 331.7±3.0 cm3

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