KEGG   COMPOUND: C18442
Entry
C18442                      Compound                               
Name
Halosulfuron-methyl
Formula
C13H15ClN6O7S
Exact mass
434.0411
Mol weight
434.81
Structure
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Sulfonylurea herbicides
    C18442  Halosulfuron-methyl
Other DBs
CAS: 100784-20-1
PubChem: 124489116
ChEBI: 81750
KCF data

ATOM        28
            1   C8y C    14.5600  -16.5900
            2   C8x C    14.5600  -17.9900
            3   C8y C    15.7724  -18.6900
            4   N5x N    16.9849  -17.9900
            5   C8y C    16.9849  -16.5900
            6   N5x N    15.7724  -15.8900
            7   N1b N    18.2224  -15.8900
            8   C5a C    19.4349  -16.5900
            9   N1b N    20.6473  -15.8900
            10  S4a S    21.8597  -16.5900
            11  C8y C    23.0722  -15.8900
            12  O2a O    13.3476  -15.8900
            13  C1a C    12.1521  -16.5804
            14  O2a O    15.7724  -20.0898
            15  C1a C    14.5432  -20.7997
            16  O5a O    19.4349  -17.9898
            17  O3c O    21.1597  -17.8024
            18  O3c O    22.8497  -17.6499
            19  C8y C    24.3742  -16.4700
            20  C8y C    25.3282  -15.4109
            21  N5x N    24.6157  -14.1764
            22  N4y N    23.2214  -14.4725
            23  C7a C    24.6602  -17.8174
            24  O7a O    25.9823  -18.2477
            25  O6a O    23.5919  -18.7782
            26  C1a C    26.2769  -19.6359
            27  C1a C    22.2001  -13.5526
            28  X   Cl   26.7310  -15.5586
BOND        29
            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 1
            10    9  10 1
            11   10  11 1
            12    1  12 1
            13   12  13 1
            14    3  14 1
            15   14  15 1
            16    8  16 2
            17   10  17 2
            18   10  18 2
            19   11  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   11  22 1
            24   19  23 1
            25   23  24 1
            26   23  25 2
            27   24  26 1
            28   22  27 1
            29   20  28 1

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