KEGG   COMPOUND: C14729
Entry
C14729                      Compound                               
Name
2',3,3',4',5-Pentachloro-4-biphenylol
Formula
C12H5Cl5O
Exact mass
339.8783
Mol weight
342.4325
Structure
Other DBs
CAS: 149589-55-9
PubChem: 17395728
PDB-CCD: NE1[PDBj]
NIKKAJI: J550.196B
LinkDB
KCF data

ATOM        18
            1   C8x C    22.1574  -20.3340
            2   C8y C    22.1574  -21.7314
            3   C8y C    23.3676  -22.4301
            4   C8y C    24.5779  -21.7314
            5   C8y C    24.5779  -20.3340
            6   C8x C    23.3676  -19.6353
            7   C8y C    25.8067  -19.6243
            8   C8x C    27.0097  -20.3187
            9   C8y C    28.2198  -19.6199
            10  C8y C    28.2198  -18.2225
            11  C8y C    27.0168  -17.5280
            12  C8x C    25.8066  -18.2268
            13  O1a O    29.4355  -17.5203
            14  X   Cl   27.0170  -16.1421
            15  X   Cl   29.4492  -20.3294
            16  X   Cl   25.8067  -22.4411
            17  X   Cl   23.3676  -23.8274
            18  X   Cl   20.9473  -22.4301
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    9  15 1
            17    4  16 1
            18    3  17 1
            19    2  18 1

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