7-(Trifluoromethyl)isoquinoline-3-carboxylic acid
  -molcms-06052623342D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 F   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
    1.5000   -0.8660    0.0000 C   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
    0.0000   -1.7321    0.0000 C   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
   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8660    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7321    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  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
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  6  2  0  0  0  0
 14 15  1  0  0  0  0
 15  3  2  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
>  <ProductName>
7-(Trifluoromethyl)isoquinoline-3-carboxylic acid

>  <CASNumber>
1256787-80-0

>  <MolecularFormula>
C11H6F3NO2

>  <MDLNo>
MFCD12406885

>  <MolWt>
241.17

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
FC(C1C=CC2C=C(C(=O)O)N=CC=2C=1)(F)F

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