ChemSpider 2D Image | Methyl (2Z)-2-{2-[(6-{[2-cyano(~2~H_4_)phenyl]oxy}-4-pyrimidinyl)oxy]phenyl}-3-methoxyacrylate | C22H13D4N3O5

Methyl (2Z)-2-{2-[(6-{[2-cyano(2H4)phenyl]oxy}-4-pyrimidinyl)oxy]phenyl}-3-methoxyacrylate

  • Molecular FormulaC22H13D4N3O5
  • Average mass407.412 Da
  • Monoisotopic mass407.141937 Da
  • ChemSpider ID60959470

  • 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

(2Z)-2-{2-[(6-{[2-Cyano(2H4)phényl]oxy}-4-pyrimidinyl)oxy]phényl}-3-méthoxyacrylate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[[6-[(6-cyanophenyl-2,3,4,5-d4)oxy]-4-pyrimidinyl]oxy]-α-(methoxymethylene)-, methyl ester, (αZ)- [ACD/Index Name]
Methyl (2Z)-2-{2-[(6-{[2-cyano(2H4)phenyl]oxy}-4-pyrimidinyl)oxy]phenyl}-3-methoxyacrylate [ACD/IUPAC Name]
Methyl-(2Z)-2-{2-[(6-{[2-cyan(2H4)phenyl]oxy}-4-pyrimidinyl)oxy]phenyl}-3-methoxyacrylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.37
ACD/KOC (pH 5.5): 1996.55
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.38
ACD/KOC (pH 7.4): 1996.55
Polar Surface Area: 104 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 300.1±5.0 cm3

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