KEGG   COMPOUND: C06646
Entry
C06646                      Compound                               

Name
2-(4'-Chlorophenyl)-3,3-dichloropropenoate
Formula
C9H5Cl3O2
Exact mass
249.9355
Mol weight
251.4938
Structure
Reaction
Pathway
map00621  Dioxin degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
3.7.1.-
Other DBs
PubChem: 8872
3DMET: B01015
NIKKAJI: J1.243.414F
KCF data

ATOM        14
            1   C8y C    28.8745  -17.3194
            2   C2c C    30.0856  -16.6232
            3   C8x C    28.8745  -18.7180
            4   C8x C    27.6690  -16.6173
            5   C6a C    31.3028  -17.3194
            6   C2c C    30.0916  -15.2188
            7   C8x C    27.6690  -19.4202
            8   C8x C    26.4520  -17.3194
            9   O6a O    32.5141  -16.6232
            10  O6a O    31.2969  -18.7238
            11  X   Cl   31.3028  -14.5224
            12  X   Cl   28.8803  -14.5166
            13  C8y C    26.4520  -18.7180
            14  X   Cl   25.2407  -19.4202
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13   13  14 1
            14    8  13 2

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