(Z) -Dimethomorph

Chemical Information
(Z)-dimethomorph is an enamide resulting from the formal condensation of (2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. The agricultural fungicide dimethomorph is a mixture of (E)- and (Z)-dimethomorph; only the Z isomer has fungicidal activity. It is a tertiary carboxamide, an aromatic ether, an enamide, a member of monochlorobenzenes and a morpholine fungicide.
| CAS Number | 113210-98-3 |
| PubChem CID | 5463781 |
| IUPAC Name | (Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one |
| Molecular Formula | C21H22ClNO4 |
| Molecular Weight | 387.9 |
| XLogP | 3.9 |
| Topological Polar Surface Area | 48 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 512 |
| Property | Value |
|---|---|
| Molecular Weight | 387.9 |
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 387.1237359 |
| Monoisotopic Mass | 387.1237359 |
| Topological Polar Surface Area | 48 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 512 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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