KEGG   COMPOUND: C22041
Entry
C22041                      Compound                               
Name
Acifluorfen;
5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
Formula
C14H7ClF3NO5
Exact mass
360.9965
Mol weight
361.6573
Structure
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Diphenyl ether herbicide
    C22041  Acifluorfen
Other DBs
CAS: 50594-66-6
PubChem: 384585101
ChEBI: 73172
PDB-CCD: ACJ[PDBj]
KCF data

ATOM        24
            1   C8y C    11.9246  -17.5485
            2   C8x C    11.9246  -18.9352
            3   C8x C    10.7459  -19.6286
            4   C8y C     9.4978  -18.9352
            5   C8x C     9.4978  -17.5485
            6   C8y C    10.7459  -16.8551
            7   X   Cl   10.7459  -15.4683
            8   C1d C     8.3191  -19.6286
            9   X   F     7.1403  -18.9352
            10  X   F     8.3191  -21.0154
            11  X   F     7.0710  -20.3220
            12  O2a O    13.1034  -16.8551
            13  C8y C    14.3515  -17.5485
            14  C8x C    15.5302  -16.8551
            15  C8y C    16.7783  -17.5485
            16  C8y C    16.7783  -18.9352
            17  C8x C    15.5302  -19.6286
            18  C8x C    14.3515  -18.9352
            19  C6a C    17.9570  -16.8551
            20  O6a O    19.2051  -17.5485
            21  O6a O    17.9570  -15.4683
            22  N2b N    17.9570  -19.6286 #+
            23  O3a O    19.3438  -18.7272 #-
            24  O3a O    17.9570  -21.0154
BOND        25
            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     4   8 1
            9     8   9 1
            10    8  10 1
            11    8  11 1
            12    1  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   15  19 1
            21   19  20 1
            22   19  21 2
            23   16  22 1
            24   22  23 1
            25   22  24 2

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
All databases (3)   

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