KEGG   COMPOUND: C06594
Entry
C06594                      Compound                               
Name
1,2,4-Trichlorobenzene;
Trichlorobenzene A
Formula
C6H3Cl3
Exact mass
179.9300
Mol weight
181.44
Structure
Reaction
R05483 R06831 R06849
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.14.12.26
Other DBs
CAS: 120-82-1
PubChem: 8820
ChEBI: 28222
NIKKAJI: J2.482A
LinkDB
KCF data

ATOM        9
            1   C8y C    29.4326  -16.2556
            2   C8y C    28.2207  -15.5530
            3   C8x C    29.4326  -17.6546
            4   X   Cl   30.6444  -15.5530
            5   C8x C    27.0089  -16.2556
            6   X   Cl   28.2265  -14.1540
            7   C8y C    28.2207  -18.3571
            8   C8x C    27.0089  -17.6546
            9   X   Cl   28.2265  -19.7564
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     5   8 2
            8     7   9 1
            9     7   8 1

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