ChemSpider 2D Image | (E)-1-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)-1-[(~2~H_4_)-5,6-dihydro-1,4,2-dioxazin-3-yl]-N-methoxymethanimine | C21H12D4ClFN4O5

(E)-1-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)-1-[(2H4)-5,6-dihydro-1,4,2-dioxazin-3-yl]-N-methoxymethanimine

  • Molecular FormulaC21H12D4ClFN4O5
  • Average mass462.852 Da
  • Monoisotopic mass462.104431 Da
  • ChemSpider ID48061453

  • 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

(E)-1-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)-1-[(2H4)-5,6-dihydro-1,4,2-dioxazin-3-yl]-N-methoxymethanimine [ACD/IUPAC Name]
(E)-1-(2-{[6-(2-Chlorophénoxy)-5-fluoro-4-pyrimidinyl]oxy}phényl)-1-[(2H4)-5,6-dihydro-1,4,2-dioxazin-3-yl]-N-méthoxyméthanimine [French] [ACD/IUPAC Name]
(E)-1-(2-{[6-(2-Chlorphenoxy)-5-fluor-4-pyrimidinyl]oxy}phenyl)-1-[(2H4)-5,6-dihydro-1,4,2-dioxazin-3-yl]-N-methoxymethanimin [German] [ACD/IUPAC Name]
Methanone, [2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-d2-1,4,2-dioxazin-3-yl-5,6-d2)-, O-methyloxime, (E)- [ACD/Index Name]
(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-N-methoxy-1-(5,5,6,6-tetradeuterio-1,4,2-dioxazin-3-yl)methanimine
1246833-67-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 254.6±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 112.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1062.57
ACD/KOC (pH 5.5): 5103.49
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1062.57
ACD/KOC (pH 7.4): 5103.49
Polar Surface Area: 97 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 318.9±7.0 cm3

Click to predict properties on the Chemicalize site


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