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(Z) -Azoxystrobin

CAT: 0013-GTR19153993-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153993-01Size:10 mg
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Description
Azoxystrobin is a systemic, broad-spectrum fungicide belonging to the class of methoxyacrylates, which are derived from the naturally-occurring strobilurins.
CAS Number
143130-94-3
Purity
>98%
Smiles
O (C1C ([H]) =C (N=C ([H]) N=1) OC1=C ([H]) C ([H]) =C ([H]) C ([H]) =C1C#N) C1=C ([H]) C ([H]) =C ([H]) C ([H]) =C1/C (=C (\[H]) /OC ([H]) ([H]) [H]) /C (=O) OC ([H]) ([H]) [H]
Molecular Formula
C22N3O5H17
Molecular Weight
403.3875
Notes
For research use only.

Chemical Information

methyl (Z)-2-(2-(6-(2-cyanophenoxy)pyrimidin-4-yl)oxyphenyl)-3-methoxyprop-2-enoate
CAS Number143130-94-3
PubChem CID6537969
IUPAC Namemethyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
Molecular FormulaC22H17N3O5
Molecular Weight403.4
XLogP3.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity646
SMILES
CO/C=C(/C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)\C(=O)OC
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-
InChIKey
WFDXOXNFNRHQEC-LGMDPLHJSA-N
Chemical Structure
2D Structure
2D structure of methyl (Z)-2-(2-(6-(2-cyanophenoxy)pyrimidin-4-yl)oxyphenyl)-3-methoxyprop-2-enoate
CAS: 143130-94-3
CID: 6537969
Formula: C22H17N3O5
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass403.11682065
Monoisotopic Mass403.11682065
Topological Polar Surface Area104 Ų
Heavy Atom Count30
Formal Charge0
Complexity646
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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