3-Bromo-1,1,1-trifluorobutan-2-one
  -molcms-05172617132D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    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
   -0.8660   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 Br  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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <ProductName>
3-Bromo-1,1,1-trifluorobutan-2-one

>  <CASNumber>
382-01-4

>  <MolecularFormula>
C4H4OF3Br

>  <MDLNo>
MFCD00236599

>  <MolWt>
204.97

>  <BoilingPoint>
93.0 oC

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
CC(C(=O)C(F)(F)F)Br

$$$$