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Trifloxystrobin 10mM * 1mL in DMSO

CAT: 0628-A13183-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No
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CAT#:0628-A13183-10mM-DSize:10 mM x 1mL in DMSO
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CAS Number
141517-21-7

Chemical Information

Trifloxystrobin

Trifloxystrobin is the methyl ester of (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetic acid. A foliar applied fungicide for cereals which is particularly active against Ascomycetes, Deuteromycetes and Oomycetes. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a methyl ester, an oxime O-ether, an organofluorine compound and a methoxyiminoacetate strobilurin antifungal agent.

CAS Number141517-21-7
PubChem CID11664966
IUPAC Namemethyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
Molecular FormulaC20H19F3N2O4
Molecular Weight408.4
XLogP4.9
Topological Polar Surface Area69.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity607
SMILES
C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
InChIKey
ONCZDRURRATYFI-TVJDWZFNSA-N
Chemical Structure
2D Structure
2D structure of Trifloxystrobin
CAS: 141517-21-7
CID: 11664966
Formula: C20H19F3N2O4
MW: 408.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass408.12969158
Monoisotopic Mass408.12969158
Topological Polar Surface Area69.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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