KEGG   COMPOUND: C18459Help
Entry
C18459                      Compound                               

Name
Difenoconazole
Formula
C19H17Cl2N3O3
Exact mass
405.0647
Mol weight
406.2626
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Fungicides
   Conazole fungicides
    C18459  Difenoconazole
BRITE hierarchy
Other DBs
CAS: 119446-68-3
PubChem: 124489133
ChEBI: 81760
ChEMBL: CHEMBL466426
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C     7.4200  -17.2900
            2   C8y C     7.4200  -18.6900
            3   C8x C     8.6324  -19.3900
            4   C8x C     9.8449  -18.6900
            5   C8y C     9.8449  -17.2900
            6   C8x C     8.6324  -16.5900
            7   O2a O    11.0824  -16.5900
            8   C8y C    12.2949  -17.2900
            9   C8x C    12.2949  -18.6898
            10  C8x C    13.5073  -19.3898
            11  C8y C    14.7197  -18.6898
            12  C8y C    14.7197  -17.2900
            13  C8x C    13.5073  -16.5900
            14  X   Cl    6.2076  -19.3900
            15  X   Cl   15.9173  -16.5985
            16  C1z C    15.9174  -19.3814
            17  O2x O    16.7188  -20.5183
            18  C1x C    18.0618  -20.1040
            19  C1y C    18.0827  -18.6987
            20  O2x O    16.7527  -18.2445
            21  C1b C    14.9566  -20.4334
            22  N4y N    14.9566  -21.8334
            23  N5x N    13.8364  -22.6476
            24  C8x C    14.2645  -23.9645
            25  N5x N    15.6493  -23.9643
            26  C8x C    16.0771  -22.6472
            27  C1a C    19.2162  -17.9005
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    2  14 1
            16   12  15 1
            17   11  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   16  20 1
            23   16  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   22  26 1
            30   19  27 1

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