2-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
  -molcms-06132617432D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5827    0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4487    0.8364    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4781   -0.6581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <ProductName>
2-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID

>  <CASNumber>
1150618-16-8

>  <MolecularFormula>
C8H5N2O2Br

>  <MDLNo>


>  <MolWt>
241.04

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C1=C2C=C(Br)NC2=NC=C1C(=O)O

$$$$