KEGG   COMPOUND: C14194
Entry
C14194                      Compound                               
Name
3,3',5,5'-Tetrachloro-4,4'-biphenyldiol
Formula
C12H6Cl4O2
Exact mass
321.9122
Mol weight
323.9868
Structure
Other DBs
CAS: 13049-13-3
PubChem: 7847004
ChEBI: 35434
PDB-CCD: PCQ[PDBj]
NIKKAJI: J530.167J
KCF data

ATOM        18
            1   C8x C    28.3124  -18.6954
            2   C8x C    27.0715  -16.6121
            3   C8x C    29.4770  -15.1793
            4   C8x C    30.7179  -17.2627
            5   C8y C    28.2934  -17.2957
            6   C8y C    29.4961  -16.5793
            7   C8y C    27.1096  -19.4118
            8   C8y C    25.8687  -17.3285
            9   C8y C    30.6799  -14.4629
            10  C8y C    31.9207  -16.5463
            11  C8y C    25.8878  -18.7284
            12  C8y C    31.9017  -15.1464
            13  O1a O    24.6851  -19.4448
            14  O1a O    33.1044  -14.4300
            15  X   Cl   27.0586  -20.8115
            16  X   Cl   24.6470  -16.6451
            17  X   Cl   30.6608  -13.0632
            18  X   Cl   33.1425  -17.2297
BOND        19
            1     1   5 2
            2     1   7 1
            3     2   5 1
            4     2   8 2
            5     3   6 2
            6     3   9 1
            7     4   6 1
            8     4  10 2
            9     5   6 1
            10    7  11 2
            11    7  15 1
            12    8  11 1
            13    8  16 1
            14    9  12 2
            15    9  17 1
            16   10  12 1
            17   10  18 1
            18   11  13 1
            19   12  14 1

» Japanese version

  All links  
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (4)   

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