KEGG   COMPOUND: C06990
Entry
C06990                      Compound                               
Name
Chlorobenzene;
Monochlorobenzene;
Benzene chloride;
Phenyl chloride
Formula
C6H5Cl
Exact mass
112.008
Mol weight
112.5569
Structure
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
Other DBs
CAS: 108-90-7
PubChem: 9203
ChEBI: 28097
PDB-CCD: 8CL[PDBj]
NIKKAJI: J2.869J
LinkDB
KCF data

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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