4-nitro-2-(trifluoromethyl)acetanilide
  -molcms-05182610062D

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7321    0.0000 C   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
    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 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7321    0.0000 F   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.8660    0.0000 N   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
   -1.0000    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
    3.0000    1.7321    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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 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
 12 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
  2 17  2  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
>  <ProductName>
4-nitro-2-(trifluoromethyl)acetanilide

>  <CASNumber>
395-68-6

>  <MolecularFormula>
C9H7N2O3F3

>  <MDLNo>
MFCD00052846

>  <MolWt>
248.16

>  <BoilingPoint>


>  <MeltingPoint>
146-150?��C(lit.)

>  <MolFile>


>  <Smiles>
CC(NC1=C(C(F)(F)F)C=C([N+]([O-])=O)C=C1)=O

$$$$