COMPOUND: C21103
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Entry
C21103 Compound
Name
2,6-Dichloro-p-benzoquinone;
2,6-Dichloro-1,4-benzoquinone
Formula
C6H2Cl2O2
Exact mass
175.9432
Mol weight
176.98
Structure
Mol file
KCF file
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Reaction
R05449
R11091
R13142
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.14.14.173
Other DBs
CAS:
697-91-6
PubChem:
312642072
PDB-CCD:
JOX
[
PDBj
]
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KCF data
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ATOM 10
1 C5x C 18.6198 -14.7720
2 C2y C 17.4082 -15.4685
3 C2y C 19.8314 -15.4685
4 O5x O 18.6256 -13.3673
5 C2x C 17.4082 -16.8674
6 X Cl 16.1909 -14.7661
7 C2x C 19.8314 -16.8674
8 X Cl 21.0429 -14.7720
9 C5x C 18.6198 -17.5698
10 O5x O 18.6256 -18.9685
BOND 10
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 5 9 1
9 9 10 2
10 7 9 1
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