KEGG   COMPOUND: C14381
Entry
C14381                      Compound                               
Name
4-Hydroxy-2,3,3',4',5-pentachlorobiphenyl;
2,3,3',4',5-Pentachloro-4-biphenylol
Formula
C12H5Cl5O
Exact mass
339.8783
Mol weight
342.4325
Structure
Other DBs
CAS: 152969-11-4
PubChem: 17395381
ChEBI: 34418
NIKKAJI: J917.029D
LinkDB
KCF data

ATOM        18
            1   C8x C    25.8198  -17.2833
            2   C8y C    25.8198  -18.6872
            3   C8y C    27.0356  -19.3891
            4   C8x C    28.2515  -18.6872
            5   C8y C    28.2515  -17.2833
            6   C8x C    27.0356  -16.5815
            7   C8y C    29.4858  -16.5703
            8   C8x C    30.6945  -17.2680
            9   C8y C    31.9100  -16.5659
            10  C8y C    31.9100  -15.1620
            11  C8y C    30.7017  -14.4645
            12  C8y C    29.4857  -15.1665
            13  O1a O    33.1400  -14.4516
            14  X   Cl   30.7018  -13.0920
            15  X   Cl   24.6072  -19.3874
            16  X   Cl   27.0360  -20.7675
            17  X   Cl   28.2915  -14.4764
            18  X   Cl   33.1175  -17.2628
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   10  13 1
            15   11  14 1
            16    2  15 1
            17    3  16 1
            18   12  17 1
            19    9  18 1

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