Fludioxonil
Chemical Information
Fludioxonil is a member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group. A fungicide seed treatment for control of a range of diseases including Fusarium, Rhizoctonia and Alternaria. It has a role as an androgen antagonist, an estrogen receptor agonist and an antifungal agrochemical. It is a nitrile, a member of pyrroles, an organofluorine compound and a member of benzodioxoles.
| CAS Number | 131341-86-1 |
| PubChem CID | 86398 |
| IUPAC Name | 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile |
| Molecular Formula | C12H6F2N2O2 |
| Molecular Weight | 248.18 |
| XLogP | 2.6 |
| Topological Polar Surface Area | 58 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 382 |
| Property | Value |
|---|---|
| Molecular Weight | 248.18 |
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 248.03973376 |
| Monoisotopic Mass | 248.03973376 |
| Topological Polar Surface Area | 58 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 382 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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