Ketcher 06121511592D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
   11.4044   -3.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5420   -3.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4027   -4.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645   -3.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6678   -3.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285   -5.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1246   -3.8380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645   -2.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6559   -4.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094   -3.3256    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.5286   -6.3338    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.7873   -5.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  9 12  1  0     0  0
  6  9  1  0     0  0
M  END
> <ID>
CHEBI:19896

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

> <DEFINITION>
A member of the class of benzamides carrying two bromo substituents at positions 3 and 5 as well as a hydroxy substituent at position 4.

> <STAR>
3

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

> <FORMULA>
C7H5Br2NO2

> <MASS>
294.92800

> <MONOISOTOPIC_MASS>
292.86870

> <CHARGE>
0

> <SMILES>
NC(=O)c1cc(Br)c(O)c(Br)c1

> <INCHI>
InChI=1S/C7H5Br2NO2/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2,11H,(H2,10,12)

> <INCHIKEY>
GJLXTZOZEHWWTD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3037-56-7

> <REAXYS_REGISTRY_NUMBER>
2579456

> <CHEMIDPLUS>
3037-56-7

> <KEGG_COMPOUND_ACCESSION>
C16246

$$$$