KEGG   COMPOUND: C18933
Entry
C18933                      Compound                               
Name
Chloranil;
p-Chloranil;
2,3,5,6-Tetrachloro-1,4-benzoquinone
Formula
C6Cl4O2
Exact mass
243.8652
Mol weight
245.87
Structure
Reaction
R03982 R11585
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map05208  Chemical carcinogenesis - reactive oxygen species
Enzyme
1.1.1.404       1.14.13.50
Brite
Pesticides [BR:br08007]
 Obsolete pesticides
  Fungicides
   Others
    C18933  Chloranil
Other DBs
CAS: 118-75-2
PubChem: 124489605
ChEBI: 36703
LinkDB
KCF data

ATOM        12
            1   C2y C    24.4300  -17.7800
            2   C2y C    24.4300  -19.1800
            3   C5x C    25.6424  -19.8800
            4   C2y C    26.8549  -19.1800
            5   C2y C    26.8549  -17.7800
            6   C5x C    25.6424  -17.0800
            7   X   Cl   23.2176  -19.8800
            8   X   Cl   23.2176  -17.0800
            9   X   Cl   28.0860  -17.0690
            10  X   Cl   28.0860  -19.8910
            11  O5x O    25.6424  -15.6802
            12  O5x O    25.6424  -21.2798
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     1   8 1
            9     5   9 1
            10    4  10 1
            11    6  11 2
            12    3  12 2

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