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

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

  • Molecular FormulaC21H12D4ClFN4O5
  • Average mass462.852 Da
  • Monoisotopic mass462.104431 Da
  • ChemSpider ID48061454

  • Non-standard isotope - Non-standard isotope

More details:

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

1-{2-[(6-{[2-Chlor(2H4)phenyl]oxy}-5-fluor-4-pyrimidinyl)oxy]phenyl}-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimin [German] [ACD/IUPAC Name]
1-{2-[(6-{[2-Chloro(2H4)phenyl]oxy}-5-fluoro-4-pyrimidinyl)oxy]phenyl}-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine [ACD/IUPAC Name]
1-{2-[(6-{[2-Chloro(2H4)phényl]oxy}-5-fluoro-4-pyrimidinyl)oxy]phényl}-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-méthoxyméthanimine [French] [ACD/IUPAC Name]
Methanone, [2-[[6-[(6-chlorophenyl-2,3,4,5-d4)oxy]-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime [ACD/Index Name]
1287192-28-2 [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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