KEGG   COMPOUND: C14737
Entry
C14737                      Compound                               
Name
4,3',5'-Trichloro-4'-biphenol;
3,4',5-Trichloro-4-biphenylol
Formula
C12H7Cl3O
Exact mass
271.9562
Mol weight
273.5424
Structure
Other DBs
CAS: 4400-06-0
PubChem: 17395735
ChEBI: 34362
NIKKAJI: J146.425F
LinkDB
KCF data

ATOM        16
            1   C8y C    22.1536  -20.3405
            2   C8y C    22.1536  -21.7375
            3   C8y C    23.3633  -22.4359
            4   C8x C    24.5732  -21.7375
            5   C8y C    24.5732  -20.3405
            6   C8x C    23.3633  -19.6422
            7   C8y C    25.8015  -19.6311
            8   C8x C    27.0041  -20.3253
            9   C8x C    28.2137  -19.6267
            10  C8y C    28.2137  -18.2298
            11  C8x C    27.0112  -17.5357
            12  C8x C    25.8014  -18.2342
            13  O1a O    20.9478  -22.4337
            14  X   Cl   29.4376  -17.5229
            15  X   Cl   23.3629  -23.8699
            16  X   Cl   20.9295  -19.6333
BOND        17
            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    2  13 1
            15   10  14 1
            16    3  15 1
            17    1  16 1

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