3-Isopropyl-4-(trifluoromethyl)benzoic acid
  -molcms-06162611162D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.7321    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
   -0.5000    2.5981    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 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
    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
    1.5000    0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4 12  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <ProductName>
3-Isopropyl-4-(trifluoromethyl)benzoic acid

>  <CASNumber>
1369834-21-8

>  <MolecularFormula>
C11 H11 F3 O2

>  <MDLNo>
MFCD28356824

>  <MolWt>
232.20

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C(C)(C)C=1C=C(C(=O)O)C=CC1C(F)(F)F

$$$$