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Fluoxastrobin

CAT: 0926-FF168518-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FF168518-01Size:25 g
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CAS Number
193740-76-0
Smiles
CON=C (C1=CC=CC=C1OC2=C (C (=NC=N2) OC3=CC=CC=C3Cl) F) C4=NOCCO4
Molecular Formula
C21H16CIFN4O5
Molecular Weight
562.29 g/mol
Controlled
No

Chemical Information

Fluoxastrobin

Fluoxastrobin is an oxime O-ether that is the O-methyl oxime of (2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone. A fungicide used for disease control of potatoes and a wide range of vegetables. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is an aromatic ether, an oxime O-ether, an organofluorine compound, a member of pyrimidines, a dioxazine, a member of monochlorobenzenes and a strobilurin antifungal agent.

CAS Number193740-76-0
PubChem CID11048796
IUPAC Name(E)-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-NLRVBDNBSA-N
Chemical Structure
2D Structure
2D structure of Fluoxastrobin
CAS: 193740-76-0
CID: 11048796
Formula: C21H16ClFN4O5
MW: 458.8
Interactive 3D Structure
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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

Alternative Products

CatalogName
sc-235159Fluoxastrobin
TRC-F596702-1MGFluoxastrobin-d4
GTR19185701-01(Z) -Fluoxastrobin
TRC-F596701-5MG(Z)-Fluoxastrobin
AR-F10416-01Fluoxastrobin Impurity 1
TRC-D288580-50MG(E)-Deschlorophenyl Fluoxastrobin
sc-499959(E) -Deschlorophenyl fluoxastrobin
AR-F10415-01(Z) -Fluoxastrobin-d4
AR-F10418-01(Z) -Fluoxastrobin Impurity 1
sc-499970(E) -Deschlorophenyl fluoxastrobin-d4

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