KEGG   COMPOUND: C14360
Entry
C14360                      Compound                               
Name
2,2',4,5-Tetrachlorobiphenyl;
PCB 48
Formula
C12H6Cl4
Exact mass
289.9224
Mol weight
291.988
Structure
Other DBs
CAS: 70362-47-9
PubChem: 17395360
ChEBI: 34205
NIKKAJI: J209.081C
LinkDB
KCF data

ATOM        16
            1   C8x C    25.1997  -17.2971
            2   C8x C    25.1997  -18.6967
            3   C8x C    26.4117  -19.3965
            4   C8y C    27.6239  -18.6967
            5   C8y C    27.6239  -17.2971
            6   C8x C    26.4117  -16.5973
            7   C8y C    28.8546  -16.5863
            8   C8x C    30.0595  -17.2818
            9   C8y C    31.2714  -16.5819
            10  C8y C    31.2714  -15.1823
            11  C8x C    30.0666  -14.4868
            12  C8y C    28.8545  -15.1867
            13  X   Cl   27.6353  -14.4828
            14  X   Cl   32.5026  -17.2925
            15  X   Cl   32.4596  -14.4966
            16  X   Cl   28.8357  -19.3964
BOND        17
            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   10  15 1
            17    4  16 1

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