KEGG   COMPOUND: C14841
Entry
C14841                      Compound                               
Name
2-Bromophenol;
o-Bromophenol
Formula
C6H5BrO
Exact mass
171.9524
Mol weight
173.0073
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
CAS: 95-56-7
PubChem: 17395839
ChEBI: 34264
KNApSAcK: C00036481
PDB-CCD: 2BR[PDBj]
NIKKAJI: J3.565C
LinkDB
KCF data

ATOM        8
            1   C8x C    18.1300  -18.2000
            2   C8x C    18.1300  -19.6000
            3   C8x C    19.3424  -20.3000
            4   C8x C    20.5549  -19.6000
            5   C8y C    20.5549  -18.2000
            6   C8y C    19.3424  -17.5000
            7   X   Br   19.3424  -16.1002
            8   O1a O    21.7860  -17.4890
BOND        8
            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     5   8 1

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