KEGG   COMPOUND: C14357
Entry
C14357                      Compound                               

Name
2,3,4-Trichlorobiphenyl;
PCB 21
Formula
C12H7Cl3
Exact mass
255.9613
Mol weight
257.543
Structure
Other DBs
CAS: 55702-46-0
PubChem: 17395357
ChEBI: 34222
NIKKAJI: J150.405C
KCF data

ATOM        15
            1   C8x C    25.1990  -17.9964
            2   C8x C    25.1990  -19.3959
            3   C8x C    26.4111  -20.0958
            4   C8x C    27.6232  -19.3959
            5   C8y C    27.6232  -17.9964
            6   C8x C    26.4111  -17.2967
            7   C8y C    28.8538  -17.2857
            8   C8x C    30.0587  -17.9811
            9   C8x C    31.2706  -17.2813
            10  C8y C    31.2706  -15.8816
            11  C8y C    30.0658  -15.1862
            12  C8y C    28.8537  -15.8860
            13  X   Cl   30.0656  -13.8090
            14  X   Cl   27.6302  -15.1796
            15  X   Cl   32.4924  -15.1760
BOND        16
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   11  13 1
            15   12  14 1
            16   10  15 1

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