COMPOUND: C06990
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Entry
C06990 Compound
Name
Chlorobenzene;
Monochlorobenzene;
Benzene chloride;
Phenyl chloride
Formula
C6H5Cl
Exact mass
112.008
Mol weight
112.5569
Structure
Mol file
KCF file
DB search
Reaction
R05535
R06850
R06856
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Enzyme
1.14.12.26
Other DBs
CAS:
108-90-7
PubChem:
9203
ChEBI:
28097
PDB-CCD:
8CL
[
PDBj
]
NIKKAJI:
J2.869J
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KCF data
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ATOM 7
1 C8y C 29.4229 -16.2285
2 C8x C 29.4229 -17.6338
3 C8x C 28.2161 -15.5290
4 X Cl 30.6415 -15.5290
5 C8x C 28.2161 -18.3276
6 C8x C 27.0032 -16.2285
7 C8x C 27.0032 -17.6338
BOND 7
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 5 7 1
7 6 7 2
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