KEGG   COMPOUND: C18697Help
Entry
C18697                      Compound                               

Name
Bromethalin
Formula
C14H7Br3F3N3O4
Exact mass
574.7939
Mol weight
577.9303
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Rodenticides
   Others
    C18697  Bromethalin
BRITE hierarchy
Other DBs
CAS: 63333-35-7
PubChem: 124489371
ChEBI: 81895
ChEMBL: CHEMBL1901818
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    14.4900  -19.0400
            2   C8y C    14.4900  -20.4400
            3   C8x C    15.7024  -21.1400
            4   C8y C    16.9149  -20.4400
            5   C8y C    16.9149  -19.0400
            6   C8y C    15.7024  -18.3400
            7   C1d C    15.7024  -16.9402
            8   X   F    15.7024  -15.5402
            9   N1c N    18.2160  -18.3290
            10  C8y C    21.0860  -18.3290
            11  C8y C    21.7867  -19.5426
            12  C8x C    23.1867  -19.5426
            13  C8y C    23.8867  -18.3302
            14  C8x C    23.1860  -17.1165
            15  C8y C    21.7860  -17.1165
            16  X   F    17.1024  -16.9402
            17  X   F    14.3024  -16.9402
            18  X   Br   21.0962  -15.9228
            19  X   Br   25.2700  -18.3303
            20  C1a C    18.2160  -16.9290
            21  N2b N    18.1460  -21.1510 #+
            22  O3a O    19.6312  -20.1753 #-
            23  O3a O    18.1457  -22.5399
            24  N2b N    13.2776  -21.1400 #+
            25  O3a O    12.0821  -20.4496 #-
            26  O3a O    13.2775  -22.5398
            27  X   Br   21.0880  -20.7527
BOND        28
            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 1
            9     5   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    7  16 1
            18    7  17 1
            19   15  18 1
            20   13  19 1
            21    9  20 1
            22    4  21 1
            23   21  22 1
            24   21  23 2
            25    2  24 1
            26   24  25 1
            27   24  26 2
            28   11  27 1

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