KEGG   COMPOUND: C18466Help
Entry
C18466                      Compound                               

Name
Hexaconazole
Formula
C14H17Cl2N3O
Exact mass
313.0749
Mol weight
314.2103
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Fungicides
   Conazole fungicides
    C18466  Hexaconazole
BRITE hierarchy
Other DBs
CAS: 79983-71-4
PubChem: 124489140
ChEBI: 81766
ChEMBL: CHEMBL1898860
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8x C    15.1900  -21.1400
            2   C8y C    15.1900  -22.5400
            3   C8x C    16.4024  -23.2400
            4   C8x C    17.6149  -22.5400
            5   C8y C    17.6149  -21.1400
            6   C8y C    16.4024  -20.4400
            7   C1d C    18.8524  -20.4400
            8   X   Cl   13.9776  -23.2400
            9   C1b C    20.0419  -21.1410
            10  C1b C    21.2442  -20.4609
            11  C1b C    22.4159  -21.1512
            12  C1a C    23.6270  -20.4659
            13  O1a O    17.8625  -19.4501
            14  C1b C    19.8423  -19.4501
            15  N4y N    19.8306  -18.0993
            16  N5x N    20.9281  -17.2875
            17  C8x C    20.4953  -15.9928
            18  N5x N    19.1301  -16.0044
            19  C8x C    18.7193  -17.3063
            20  X   Cl   16.4024  -19.0400
BOND        21
            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     2   8 1
            9     7   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  13 1
            14    7  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   15  19 1
            21    6  20 1

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