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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: | androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. estrogen receptor agonist An agonist at the estrogen receptor. |
| Applications: | androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. |
| 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 |
|---|---|
| C18462 | KEGG COMPOUND |
| fludioxonil | Alan Wood's Pesticides |
| 330 | PPDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8393936 | Reaxys |
| CAS:131341-86-1 | KEGG COMPOUND |
| CAS:131341-86-1 | ChemIDplus |
| CAS:131341-86-1 | NIST Chemistry WebBook |
| Citations |
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