KEGG   COMPOUND: C14730
Entry
C14730                      Compound                               
Name
2,2',3,4',5,5'-Hexachloro-4-biphenylol
Formula
C12H4Cl6O
Exact mass
373.8393
Mol weight
376.8776
Structure
Other DBs
CAS: 145413-90-7
PubChem: 17395729
ChEBI: 34200
NIKKAJI: J550.200D
LinkDB
KCF data

ATOM        19
            1   C8y C    22.1621  -20.3383
            2   C8y C    22.1621  -21.7360
            3   C8x C    23.3725  -22.4348
            4   C8y C    24.5831  -21.7360
            5   C8y C    24.5831  -20.3383
            6   C8x C    23.3725  -19.6394
            7   C8y C    25.8121  -19.6284
            8   C8x C    27.0154  -20.3230
            9   C8y C    28.2257  -19.6240
            10  C8y C    28.2257  -18.2263
            11  C8y C    27.0225  -17.5317
            12  C8y C    25.8120  -18.2306
            13  O1a O    29.4417  -17.5240
            14  X   Cl   27.0227  -16.1455
            15  X   Cl   29.4554  -20.3337
            16  X   Cl   25.8121  -22.4458
            17  X   Cl   20.9517  -22.4348
            18  X   Cl   24.6002  -17.5310
            19  X   Cl   20.9842  -19.6587
BOND        20
            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    2  17 1
            19   12  18 1
            20    1  19 1

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