KEGG   COMPOUND: C14196
Entry
C14196                      Compound                               
Name
2,3,5,6-Tetrachloro-4,4'-biphenyldiol
Formula
C12H6Cl4O2
Exact mass
321.9122
Mol weight
323.9868
Structure
Other DBs
CAS: 100702-98-5
PubChem: 7847006
ChEBI: 34223
NIKKAJI: J776.653J
LinkDB
KCF data

ATOM        18
            1   C8x C    29.8041  -19.1939
            2   C8x C    28.6120  -17.0822
            3   C8x C    31.0232  -18.5056
            4   C8x C    29.8311  -16.3939
            5   C8y C    28.5985  -18.4822
            6   C8y C    31.0368  -17.1057
            7   C8y C    27.3794  -19.1705
            8   C8y C    24.9411  -20.5470
            9   C8y C    26.1737  -18.4587
            10  C8y C    27.3658  -20.5704
            11  C8y C    24.9546  -19.1470
            12  C8y C    26.1467  -21.2586
            13  O1a O    32.2559  -16.4175
            14  O1a O    23.7220  -21.2352
            15  X   Cl   26.1873  -17.0588
            16  X   Cl   28.5714  -21.2820
            17  X   Cl   23.7490  -18.4353
            18  X   Cl   26.2032  -22.6585
BOND        19
            1     1   3 2
            2     1   5 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     4   6 2
            7     5   7 1
            8     6  13 1
            9     7   9 2
            10    7  10 1
            11    8  11 2
            12    8  12 1
            13    8  14 1
            14    9  11 1
            15    9  15 1
            16   10  12 2
            17   10  16 1
            18   11  17 1
            19   12  18 1

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