KEGG   COMPOUND: C14366
Entry
C14366                      Compound                               

Name
2,3,4,5,6-Pentachlorobiphenyl;
PCB 116
Formula
C12H5Cl5
Exact mass
323.8834
Mol weight
326.4331
Structure
Other DBs
CAS: 18259-05-7
PubChem: 17395366
ChEBI: 34219
ChEMBL: CHEMBL275246
NIKKAJI: J147.967I
KCF data

ATOM        17
            1   C8x C    25.1896  -17.9872
            2   C8x C    25.1896  -19.3861
            3   C8x C    26.4010  -20.0855
            4   C8x C    27.6125  -19.3861
            5   C8y C    27.6125  -17.9872
            6   C8x C    26.4010  -17.2878
            7   C8y C    28.8426  -17.2768
            8   C8y C    30.0468  -17.9719
            9   C8y C    31.2581  -17.2724
            10  C8y C    31.2581  -15.8735
            11  C8y C    30.0539  -15.1784
            12  C8y C    28.8425  -15.8779
            13  X   Cl   27.6240  -15.1744
            14  X   Cl   32.4887  -17.9826
            15  X   Cl   30.0537  -13.8020
            16  X   Cl   32.4456  -15.1883
            17  X   Cl   30.0469  -19.4067
BOND        18
            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   12  13 1
            15    9  14 1
            16   11  15 1
            17   10  16 1
            18    8  17 1

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