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(Z) -Fluoxastrobin

CAT: 0804-HY-W008927A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W008927A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(Z) -Fluoxastrobin is fungicide agent. (Z) -Fluoxastrobin has excellent control of important seed and soilborne pathogens[1].
CAS Number
887973-21-9
UNSPSC
12352005
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/z-fluoxastrobin.html
Solubility
10 mM in DMSO
Smiles
CO/N=C(C1=NOCCO1)/C2=C(C=CC=C2)OC3=NC=NC(OC4=C(C=CC=C4)Cl)=C3F
Molecular Formula
C21H16ClFN4O5
Molecular Weight
458.83
References & Citations
[1]Liang Y, et al. Terminal residue and dietary intake risk assessment of prothioconazole-desthio and fluoxastrobin in wheat field ecosystem. J Sci Food Agric. 2021;101 (12) :4900-4906.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fluoxastrobin, (Z)-
CAS Number887973-21-9
PubChem CID9804219
IUPAC Name(Z)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
Molecular FormulaC21H16ClFN4O5
Molecular Weight458.8
XLogP5.1
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity672
SMILES
CO/N=C(/C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)\C4=NOCCO4
InChI
InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18-
InChIKey
UFEODZBUAFNAEU-ITYLOYPMSA-N
Chemical Structure
2D Structure
2D structure of Fluoxastrobin, (Z)-
CAS: 887973-21-9
CID: 9804219
Formula: C21H16ClFN4O5
MW: 458.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.8
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass458.0793255
Monoisotopic Mass458.0793255
Topological Polar Surface Area96.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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