KEGG   COMPOUND: C14382
Entry
C14382                      Compound                               
Name
4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl;
2,2',3,4',5,5',6-Heptachloro-4-biphenylol;
4-Hydroxy-PCB 187
Formula
C12H3Cl7O
Exact mass
407.8004
Mol weight
411.3226
Structure
Other DBs
CAS: 158076-68-7
PubChem: 17395382
ChEBI: 34415
NIKKAJI: J1.622.001I
KCF data

ATOM        20
            1   C8y C    25.7811  -17.9466
            2   C8y C    25.7811  -19.3477
            3   C8x C    26.9945  -20.0482
            4   C8y C    28.2080  -19.3477
            5   C8y C    28.2080  -17.9466
            6   C8x C    26.9945  -17.2462
            7   C8y C    29.4398  -17.2350
            8   C8y C    30.6461  -17.9313
            9   C8y C    31.8592  -17.2306
            10  C8y C    31.8592  -15.8295
            11  C8y C    30.6533  -15.1334
            12  C8y C    29.4397  -15.8340
            13  O1a O    33.0868  -15.1205
            14  X   Cl   30.6534  -13.7637
            15  X   Cl   24.5710  -20.0465
            16  X   Cl   28.2479  -15.1453
            17  X   Cl   33.0643  -17.9261
            18  X   Cl   29.4403  -20.0596
            19  X   Cl   24.5816  -17.2541
            20  X   Cl   30.6471  -19.3501
BOND        21
            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   12  16 1
            18    9  17 1
            19    4  18 1
            20    1  19 1
            21    8  20 1

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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