Chemical Properties of Azoxystrobin

Azoxystrobin

InChI
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
InChI Key
WFDXOXNFNRHQEC-GHRIWEEISA-N
Formula
C22H17N3O5
SMILES
CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
Molecular Weight1
403.39
Other Names
  • Azoxystrobine x
  • Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-«alpha»-(methoxymethylene)-, methyl ester, («alpha»E)-
  • Methyl (E)-2-((6-(2-cyanophenoxy)-4-pyrimidinyl)oxy)-alpha-(methoxymethylene)benzeneacetate
  • methyl (E)-2-(2-((6-(2-cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)-3-methoxyacrylate
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Physical Properties

Property Value Unit Source
logPoct/wat 4.093 Crippen Calculated Property
McVol 291.650 ml/mol McGowan Calculated Property
Inp 3083.00 NIST
Tfus 387.67 K Measurement and Correlation of the Solubility of Azoxystrobin in Seven Monosolvents and Two Different Binary Mixed Solvents

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

.delta.1-tetrahydrocannabinolic acid, n-butyl-boronate. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Glyceollin V, TMS. cis-1,2-Tetralinediol, ferrocenylboronate. Hydrastine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Noscapine. Butorphanol di-TMS derivative. cefuroxime acid. Glyceollin III, TMS. .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. Benzquinamide M (N-des-Et), acetylated. Benzquinamide M (O-des-Et), acetylated.

Find more compounds similar to Azoxystrobin.

Mixtures

Sources

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