KEGG   COMPOUND: C18547
Entry
C18547                      Compound                               
Name
Boscalid
Formula
C18H12Cl2N2O
Exact mass
342.0327
Mol weight
343.2067
Structure
Brite
Pesticides [BR:br08007]
 Pesticides
  Fungicides
   Amide fungicides
    C18547  Boscalid
Other DBs
CAS: 188425-85-6
PubChem: 124489221
ChEBI: 81822
LinkDB
KCF data

ATOM        23
            1   C8x C    12.8800  -24.0100
            2   C8x C    12.8800  -25.4100
            3   C8x C    14.0924  -26.1100
            4   C8x C    15.3049  -25.4100
            5   C8y C    15.3049  -24.0100
            6   C8y C    14.0924  -23.3100
            7   C8y C    14.0924  -21.9102
            8   C8x C    15.2880  -21.2197
            9   C8x C    15.2878  -19.8197
            10  C8y C    14.0753  -19.1199
            11  C8x C    12.8798  -19.8103
            12  C8x C    12.8799  -21.2103
            13  X   Cl   14.0752  -17.7100
            14  N1b N    16.5424  -23.3100
            15  C5a C    17.7549  -24.0100
            16  C8y C    18.9673  -23.3100
            17  C8y C    20.1818  -24.0112
            18  N5x N    21.3942  -23.3111
            19  C8x C    21.3942  -21.9111
            20  C8x C    20.1797  -21.2100
            21  C8x C    18.9673  -21.9100
            22  O5a O    17.7549  -25.4098
            23  X   Cl   20.1818  -25.4098
BOND        25
            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     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15    5  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   15  22 2
            25   17  23 1

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