KEGG   COMPOUND: C10990Help
Entry
C10990                      Compound                               

Name
Flumiclorac pentyl;
S-23031
Formula
C21H23ClFNO5
Exact mass
423.1249
Mol weight
423.8624
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 87546-18-7
PubChem: 13173
ChEBI: 5104
ChEMBL: CHEMBL1897630
NIKKAJI: J660.020D
KCF data Show

ATOM        29
            1   C1x C    19.3959  -21.2047
            2   C1x C    19.3959  -22.6047
            3   C1x C    20.6112  -23.3047
            4   C1x C    20.6112  -20.5047
            5   C2y C    21.8194  -21.2047
            6   C2y C    21.8135  -22.6081
            7   C5x C    23.1464  -23.0474
            8   N1y N    23.9759  -21.9154
            9   C5x C    23.1557  -20.7766
            10  O5x O    23.5941  -19.4471
            11  O5x O    23.5735  -24.3807
            12  C8y C    25.3758  -21.9212
            13  C8y C    26.0642  -23.1372
            14  C8x C    27.4642  -23.1429
            15  C8y C    28.1693  -21.9335
            16  C8y C    27.4742  -20.7182
            17  C8x C    26.0743  -20.7124
            18  X   F    25.3566  -24.3452
            19  O2a O    28.1793  -19.5087
            20  C1b C    29.5792  -19.5146
            21  C7a C    30.2841  -18.3050
            22  O7a O    31.6841  -18.3108
            23  O6a O    29.5892  -17.0897
            24  C1b C    32.3891  -17.1014
            25  C1b C    33.7891  -17.1072
            26  C1b C    34.4942  -15.8978
            27  C1b C    35.8939  -15.9036
            28  C1a C    36.5990  -14.6940
            29  X   Cl   29.5690  -21.9393
BOND        31
            1     5   6 2
            2     6   7 1
            3    12  13 2
            4    13  14 1
            5    14  15 2
            6    15  16 1
            7    16  17 2
            8    17  12 1
            9     7   8 1
            10   13  18 1
            11    8   9 1
            12   16  19 1
            13    9   5 1
            14   19  20 1
            15    4   1 1
            16   20  21 1
            17    9  10 2
            18   21  22 1
            19   21  23 2
            20    7  11 2
            21   22  24 1
            22    1   2 1
            23   24  25 1
            24    8  12 1
            25   25  26 1
            26    2   3 1
            27   26  27 1
            28    3   6 1
            29   27  28 1
            30    5   4 1
            31   15  29 1

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