KEGG   COMPOUND: C14374
Entry
C14374                      Compound                               
Name
4-Hydroxy-2,2',3',4',6'-pentachlorobiphenyl;
2,2',3',4',6'-Pentachloro-4-biphenylol
Formula
C12H5Cl5O
Exact mass
339.8783
Mol weight
342.4325
Structure
Other DBs
CAS: 150304-10-2
PubChem: 17395374
ChEBI: 34413
NIKKAJI: J855.487K
LinkDB
KCF data

ATOM        18
            1   C8x C    25.7980  -16.6341
            2   C8y C    25.7980  -18.0366
            3   C8y C    27.0125  -18.7377
            4   C8y C    28.2271  -18.0366
            5   C8y C    28.2271  -16.6341
            6   C8y C    27.0125  -15.9329
            7   C8y C    29.4603  -15.9218
            8   C8x C    30.6677  -16.6188
            9   C8x C    31.8821  -15.9174
            10  C8y C    31.8821  -14.5150
            11  C8x C    30.6748  -13.8181
            12  C8y C    29.4602  -14.5194
            13  X   Cl   29.4414  -18.7376
            14  X   Cl   27.0124  -20.1644
            15  X   Cl   24.5926  -18.7328
            16  X   Cl   28.2671  -13.8310
            17  O1a O    33.0878  -13.8187
            18  X   Cl   27.0126  -14.5600
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    4  13 1
            15    3  14 1
            16    2  15 1
            17   12  16 1
            18   10  17 1
            19    6  18 1

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