KEGG   COMPOUND: C14408Help
Entry
C14408                      Compound                               

Name
1,2,3-Trichlorobenzene
Formula
C6H3Cl3
Exact mass
179.93
Mol weight
181.447
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 87-61-6
PubChem: 17395408
ChEBI: 35289
ChEMBL: CHEMBL46557
NIKKAJI: J3.538F
KCF data Show

ATOM        9
            1   C8x C    27.0221  -16.9443
            2   C8x C    27.0221  -18.3395
            3   C8x C    28.2304  -19.0371
            4   C8y C    29.4387  -18.3395
            5   C8y C    29.4387  -16.9443
            6   C8y C    28.2304  -16.2466
            7   X   Cl   28.2304  -14.8516
            8   X   Cl   30.6656  -16.2357
            9   X   Cl   30.6656  -19.0480
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     5   8 1
            9     4   9 1

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