Marvin  11220611292D          

 11 11  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  7  1  0  0  0  0
  1  3  1  0  0  0  0
  9  3  1  0  0  0  0
  4  3  2  0  0  0  0
 11  4  1  0  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
  6  2  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  3  0  0  0  0
M  END
> <ID>
CHEBI:17192

> <NAME>
3,5-dibromo-4-hydroxybenzonitrile

> <DEFINITION>
A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1396; CHEBI:11706; CHEBI:19898

> <SYNONYM>
bromoxynil; 3,5-Dibromo-4-hydroxybenzonitrile; 3,5-Dibromo-4-hydroxybenzonitrile; 2,6-dibromo-4-cyanophenol

> <IUPAC_NAME>
3,5-dibromo-4-hydroxybenzonitrile

> <FORMULA>
C7H3Br2NO

> <MASS>
276.91286

> <MONOISOTOPIC_MASS>
274.85814

> <CHARGE>
0

> <SMILES>
Oc1c(Br)cc(cc1Br)C#N

> <INCHI>
InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

> <INCHIKEY>
UPMXNNIRAGDFEH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2364039

> <CAS_REGISTRY_NUMBER>
1689-84-5

> <GMELIN_REGISTRY_NUMBER>
1473439

> <CHEMIDPLUS>
1689-84-5

> <KEGG_COMPOUND_ACCESSION>
C04178

> <NIST_CHEMISTRY_WEBBOOK>
1689-84-5

> <PESTICIDES_ACCESSION>
bromoxynil

> <WIKIPEDIA_ACCESSION>
Bromoxynil

> <PUBMED_CITATION>
11910467; 24458090

$$$$