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CHEBI:81763 - fludioxonil
| Formula | C12H6F2N2O2 |
| Net Charge | 0 |
| Average Mass | 248.188 |
| Monoisotopic Mass | 248.03973 |
| SMILES | N#Cc1cncc1-c1cccc2c1OC(F)(F)O2 |
| InChI | InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H |
| InChIKey | MUJOIMFVNIBMKC-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. estrogen receptor agonist An agonist at the estrogen receptor. androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. |
| Applications: | antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| fludioxonil (CHEBI:81763) has role androgen antagonist (CHEBI:35497) |
| fludioxonil (CHEBI:81763) has role antifungal agrochemical (CHEBI:86328) |
| fludioxonil (CHEBI:81763) has role estrogen receptor agonist (CHEBI:63951) |
| fludioxonil (CHEBI:81763) is a benzodioxoles (CHEBI:38298) |
| fludioxonil (CHEBI:81763) is a nitrile (CHEBI:18379) |
| fludioxonil (CHEBI:81763) is a organofluorine compound (CHEBI:37143) |
| fludioxonil (CHEBI:81763) is a pyrroles (CHEBI:26455) |
| IUPAC Name |
|---|
| 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile |
| Manual Xrefs | Databases |
|---|---|
| 330 | PPDB |
| C18462 | KEGG COMPOUND |
| fludioxonil | Alan Wood's Pesticides |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8393936 | Reaxys |
| CAS:131341-86-1 | NIST Chemistry WebBook |
| CAS:131341-86-1 | KEGG COMPOUND |
| CAS:131341-86-1 | ChemIDplus |
| Citations |
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