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M  END
> <ID>
CHEBI:81760

> <NAME>
difenoconazole

> <DEFINITION>
A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups.  A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms.

> <STAR>
3

> <IUPAC_NAME>
1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole

> <FORMULA>
C19H17Cl2N3O3

> <MASS>
406.26300

> <MONOISOTOPIC_MASS>
405.06470

> <CHARGE>
0

> <SMILES>
CC1COC(Cn2cncn2)(O1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

> <INCHI>
InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3

> <INCHIKEY>
BQYJATMQXGBDHF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
119446-68-3

> <REAXYS_REGISTRY_NUMBER>
9073356

> <CHEMIDPLUS>
119446-68-3

> <KEGG_COMPOUND_ACCESSION>
C18459

> <NIST_CHEMISTRY_WEBBOOK>
119446-68-3

> <PESTICIDES_ACCESSION>
difenoconazole

> <PUBMED_CITATION>
24405376; 25172726; 25306325

$$$$