KEGG   COMPOUND: C18491Help
Entry
C18491                      Compound                               

Name
Tolfenpyrad
Formula
C21H22ClN3O2
Exact mass
383.1401
Mol weight
383.8713
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Insecticides
   Pyrazole insecticides
    C18491  Tolfenpyrad
BRITE hierarchy
Other DBs
CAS: 129558-76-5
PubChem: 124489165
ChEBI: 38628
ChEMBL: CHEMBL2229099
KCF data Show

ATOM        27
            1   C8x C    24.9900  -22.3300
            2   C8y C    24.9900  -20.9300
            3   C8x C    23.8000  -20.2300
            4   C8x C    22.5400  -20.9300
            5   C8y C    22.5400  -22.3300
            6   C8x C    23.8000  -23.0300
            7   O2a O    26.1800  -20.2300
            8   C8y C    27.3700  -20.9300
            9   C1a C    21.3500  -23.0300
            10  C8x C    27.3700  -22.3300
            11  C8x C    28.6300  -23.0300
            12  C8y C    29.8200  -22.3300
            13  C8x C    29.8200  -20.9300
            14  C8x C    28.6300  -20.2300
            15  C1b C    31.0100  -23.0300
            16  N1b N    32.2700  -22.3300
            17  C5a C    33.4600  -23.0300
            18  C8y C    34.6500  -22.3300
            19  N4y N    35.9100  -22.8900
            20  N5x N    36.8900  -21.8400
            21  C8y C    36.1900  -20.6500
            22  C8y C    34.7900  -20.9300
            23  X   Cl   33.7400  -20.0200
            24  C1a C    36.1900  -24.2200
            25  C1b C    36.7500  -19.3900
            26  C1a C    38.1500  -19.2500
            27  O5a O    33.4600  -24.4300
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     2   7 1
            8     7   8 1
            9     5   9 1
            10    8  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    8  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   18  22 2
            25   22  23 1
            26   19  24 1
            27   21  25 1
            28   25  26 1
            29   17  27 2

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