KEGG   COMPOUND: C18694
Entry
C18694                      Compound                               
Name
Brodifacoum
Formula
C31H23BrO3
Exact mass
522.0831
Mol weight
523.41
Structure
Brite
Pesticides [BR:br08007]
 Pesticides
  Rodenticides
   Coumarin rodenticides
    C18694  Brodifacoum
Other DBs
CAS: 56073-10-0
PubChem: 124489368
ChEBI: 81892
KCF data

ATOM        35
            1   C8y C    22.3300  -17.6400
            2   C8y C    22.3300  -16.2400
            3   O7x O    23.5200  -15.5400
            4   C8y C    24.7100  -16.2400
            5   C8y C    24.7100  -17.6400
            6   C8y C    23.5200  -18.3400
            7   C8x C    21.0700  -18.3400
            8   C8x C    19.8800  -17.6400
            9   C8x C    19.8800  -16.2400
            10  C8x C    21.0700  -15.5400
            11  O1a O    23.5200  -19.7400
            12  O6a O    25.9700  -15.5400
            13  C1y C    25.9700  -18.3400
            14  C1x C    27.1600  -17.7100
            15  C1y C    28.3500  -18.3400
            16  C1x C    28.3500  -19.7400
            17  C8y C    27.1600  -20.4400
            18  C8y C    25.9700  -19.7400
            19  C8x C    27.1600  -21.8400
            20  C8x C    25.9700  -22.5400
            21  C8x C    24.7800  -21.8400
            22  C8x C    24.7800  -20.4400
            23  C8y C    29.6100  -17.6400
            24  C8x C    29.6100  -16.2400
            25  C8x C    30.8000  -15.5400
            26  C8y C    32.0600  -16.2400
            27  C8x C    32.0600  -17.6400
            28  C8x C    30.8000  -18.3400
            29  C8y C    33.2500  -15.5400
            30  C8x C    33.2500  -14.1400
            31  C8x C    34.4400  -13.4400
            32  C8y C    35.7000  -14.1400
            33  C8x C    35.7000  -15.5400
            34  C8x C    34.4400  -16.2400
            35  X   Br   36.8900  -13.4400
BOND        40
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 2
            12    6  11 1
            13    4  12 2
            14    5  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   17  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   18  22 2
            26   15  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   23  28 1
            33   26  29 1
            34   29  30 2
            35   30  31 1
            36   31  32 2
            37   32  33 1
            38   33  34 2
            39   29  34 1
            40   32  35 1

» Japanese version

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Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
All databases (3)   

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