| CAS Number | 143130-94-3 |
| Catalog Number | AG009EYD(AGN-PC-0PTIRA) |
| Chemical Name | (Z)-Azoxystrobin |
| IUPAC Name | methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate |
| 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- |
| InChI Key | WFDXOXNFNRHQEC-LGMDPLHJSA-N |
| MDL Number | MFCD15146865 |
| Molecular Formula | C22H17N3O5 |
| Molecular Weight | 403.3875 |
| SMILES | COC=C(/C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2 |
| Synonyms | (Z)-Azoxystrobin,
143130-94-3,
MMV021057,
AC1O6XNK,
SCHEMBL4447188,
CHEMBL2286759,
(Z)-Methyl 2-(2-((6-(2-cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)-3-methoxyacrylate,
ZINC5700743,
I14-0487,
methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate,
Azoxystrobin,
CID6537969,
METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE,
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| Complexity | 646 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 403.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 403.394g/mol |
| Monoisotopic Mass | 403.117g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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