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Des-[(E)-Methyl-3-methyoxyacrylate] Picoxystrobin

CAT: 0572-TRC-P447600-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P447600-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2379883-79-9
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
OC(=O)c1ccccc1COc2cccc(n2)C(F)(F)F
Molecular Formula
C14 H10 F3 N O3
Molecular Weight
297.2293
InChI
InChI=1S/C14H10F3NO3/c15-14(16,17)11-6-3-7-12(18-11)21-8-9-4-1-2-5-10(9)13(19)20/h1-7H,8H2,(H,19,20)
Additionnal Information
IUPAC name: 2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Picoxystrobin metabolite M8
CAS Number2379883-79-9
PubChem CID138394697
IUPAC Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid
Molecular FormulaC14H10F3NO3
Molecular Weight297.23
XLogP3.1
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity362
SMILES
C1=CC=C(C(=C1)COC2=CC=CC(=N2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C14H10F3NO3/c15-14(16,17)11-6-3-7-12(18-11)21-8-9-4-1-2-5-10(9)13(19)20/h1-7H,8H2,(H,19,20)
InChIKey
SCASTWHLUHBICN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Picoxystrobin metabolite M8
CAS: 2379883-79-9
CID: 138394697
Formula: C14H10F3NO3
MW: 297.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.23
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass297.06127767
Monoisotopic Mass297.06127767
Topological Polar Surface Area59.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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