KEGG   COMPOUND: C04178Help
Entry
C04178                      Compound                               

Name
Bromoxynil;
3,5-Dibromo-4-hydroxybenzonitrile
Formula
C7H3Br2NO
Exact mass
274.8581
Mol weight
276.9128
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00364  Fluorobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.13.50      3.5.5.6         4.2.1.84
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Nitrile herbicides
    C04178  Bromoxynil
BRITE hierarchy
Other DBs
CAS: 1689-84-5
PubChem: 6856
ChEBI: 17192
ChEMBL: CHEMBL453905
3DMET: B00685
NIKKAJI: J7.557D
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8y C    17.9837  -16.5073
            2   C8x C    16.7813  -17.2045
            3   C8x C    19.2052  -17.2045
            4   C3b C    17.9837  -15.1195
            5   C8y C    16.7813  -18.6114
            6   C8y C    19.2052  -18.6114
            7   N3a N    18.0091  -13.6934
            8   C8y C    17.9837  -19.3212
            9   X   Br   15.3625  -19.3721
            10  X   Br   20.4075  -19.3021
            11  O1a O    17.9837  -20.7091
BOND        11
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 3
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    6   8 1

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