KEGG   COMPOUND: C14454
Entry
C14454                      Compound                               
Name
2,4,6-Tribromophenol
Formula
C6H3Br3O
Exact mass
327.7734
Mol weight
330.7994
Structure
Other DBs
CAS: 118-79-6
PubChem: 17395454
ChEBI: 47696
KNApSAcK: C00033540
PDB-CCD: TBP[PDBj]
NIKKAJI: J5.307D
KCF data

ATOM        10
            1   C8y C    26.7769  -18.8031
            2   C8x C    26.7769  -20.2008
            3   C8y C    27.9874  -20.8997
            4   C8x C    29.1980  -20.2008
            5   C8y C    29.1980  -18.8031
            6   C8y C    27.9874  -18.1041
            7   O1a O    27.9874  -16.7065
            8   X   Br   27.9874  -22.2974
            9   X   Br   30.4270  -18.0933
            10  X   Br   25.5657  -18.1038
BOND        10
            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     6   7 1
            8     3   8 1
            9     5   9 1
            10    1  10 1

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Chemical substance (8)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (8)   

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