KEGG   COMPOUND: C14369Help
Entry
C14369                      Compound                               

Name
2,2',3,3',6,6'-Hexachlorobiphenyl;
PCB 136
Formula
C12H4Cl6
Exact mass
357.8444
Mol weight
360.8782
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 38411-22-2
PubChem: 17395369
ChEBI: 34199
NIKKAJI: J70.033I
KCF data Show

ATOM        18
            1   C8x C    25.8099  -17.2777
            2   C8x C    25.8099  -18.6759
            3   C8y C    27.0207  -19.3749
            4   C8y C    28.2316  -18.6759
            5   C8y C    28.2316  -17.2777
            6   C8y C    27.0207  -16.5787
            7   C8y C    29.4610  -16.5677
            8   C8y C    30.6646  -17.2624
            9   C8x C    31.8753  -16.5633
            10  C8x C    31.8753  -15.1651
            11  C8y C    30.6717  -14.4704
            12  C8y C    29.4609  -15.1695
            13  X   Cl   28.2430  -14.4664
            14  X   Cl   30.6715  -13.0946
            15  X   Cl   30.6647  -18.6965
            16  X   Cl   29.4421  -19.3748
            17  X   Cl   27.0206  -20.7972
            18  X   Cl   27.0207  -15.1953
BOND        19
            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   11  14 1
            16    8  15 1
            17    4  16 1
            18    3  17 1
            19    6  18 1

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