4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene
  -molcms-05142622352D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    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
    0.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ProductName>
4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene

>  <CASNumber>
16588-69-5

>  <MolecularFormula>
C8H3NOF3Cl

>  <MDLNo>
MFCD00013873

>  <MolWt>
221.56

>  <BoilingPoint>
114-115��/10mm(lit.)

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C1=CC(=C(C=C1Cl)C(F)(F)F)N=C=O

$$$$