2-formyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
  -molcms-06142603462D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.6092    0.1691    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7431    0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    1.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2749    2.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4476    2.2514    0.0000 O   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
   -0.9781    0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    1.1590    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6473   -0.5352    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9563    0.4158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067   -0.9135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4013   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0704   -1.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485   -1.3443    0.0000 O   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
  3  5  2  0  0  0  0
  2  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  1  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ProductName>
2-formyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

>  <CASNumber>
1411763-97-7

>  <MolecularFormula>
C6H2F3NO3S

>  <MDLNo>


>  <MolWt>
225.15

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
S1C(C(O)=O)=C(C(F)(F)F)N=C1C=O

$$$$