KEGG   COMPOUND: C14404Help
Entry
C14404                      Compound                               

Name
2,4-DB;
4-(2,4-Dichlorophenoxy)butyric acid
Formula
C10H10Cl2O3
Exact mass
248.0007
Mol weight
249.0906
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Phenoxy herbicides
    C14404  2,4-DB
BRITE hierarchy
Other DBs
CAS: 94-82-6
PubChem: 17395404
ChEBI: 73173
ChEMBL: CHEMBL1892377
NIKKAJI: J3.948I
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8y C    27.0190  -18.7525
            2   C8x C    25.7222  -19.4316
            3   C8y C    24.5315  -18.7284
            4   C8x C    24.5337  -17.2847
            5   C8x C    25.7605  -16.6056
            6   C8y C    26.9851  -17.3701
            7   O2a O    28.2119  -16.6910
            8   X   Cl   23.3047  -19.4075
            9   X   Cl   28.1397  -19.4557
            10  C1b C    29.4026  -17.3942
            11  C1b C    30.6294  -16.7151
            12  C1b C    31.8201  -17.4183
            13  C6a C    33.0469  -16.7392
            14  O6a O    34.2375  -17.4424
            15  O6a O    33.0665  -15.3370
BOND        15
            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     3   8 1
            9     1   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   13  15 2

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