Mrv0541 10211416392D          
 
 29 30  0  0  0  0            999 V2000
    7.6314  -10.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6314  -11.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459  -11.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0604  -11.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0604  -10.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459   -9.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4893  -10.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4893  -11.0964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2038  -11.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9183  -11.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9183  -10.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2038   -9.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459   -9.0341    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9170   -9.8590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9170  -11.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2124  -11.1022    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9169  -12.3339    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2024  -11.9215    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6621  -11.5155    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.6621  -12.3405    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.5786  -11.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6241  -11.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242  -11.0997    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6241  -12.3338    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385  -11.9164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2038   -9.0339    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0668   -8.6330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7749   -9.8590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6347   -8.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  6 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
  5 28  1  0  0  0  0
  7 28  1  0  0  0  0
 13 29  2  0  0  0  0
M  CHG  4  13   1  19   1  20  -1  27  -1
M  END
> <ID>
CHEBI:81843

> <NAME>
fluazinam

> <DEFINITION>
A member of the class of aminopyridines that is 2-amino-5-(trifluoromethyl)pyridine in which one of the amino hydrogens is replaced by a 3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl group. A fungicide used to control grey mould, downy mildew and other fungal pathogens.

> <STAR>
3

> <SYNONYM>
3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine

> <IUPAC_NAME>
3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine

> <BRAND_NAME>
Shirlan

> <FORMULA>
C13H4Cl2F6N4O4

> <MASS>
465.09200

> <MONOISOTOPIC_MASS>
463.95138

> <CHARGE>
0

> <SMILES>
[O-][N+](=O)c1cc(c(Cl)c(c1Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F

> <INCHI>
InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)

> <INCHIKEY>
UZCGKGPEKUCDTF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
79622-59-6

> <REAXYS_REGISTRY_NUMBER>
4772672

> <CHEMIDPLUS>
79622-59-6

> <KEGG_COMPOUND_ACCESSION>
C18578

> <PESTICIDES_ACCESSION>
fluazinam

> <WIKIPEDIA_ACCESSION>
Fluazinam

> <PUBMED_CITATION>
19837458; 21907236; 22465686; 23464902; 24427089; 24813983; 7774188

$$$$