tert-Butyl 5-bromovalerate
  -molcms-05312615182D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -1.7321   -1.0000    0.0000 O   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
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622    0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    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
    0.0000   -1.0000    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   -0.5000    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <ProductName>
tert-Butyl 5-bromovalerate

>  <CASNumber>
88987-42-2

>  <MolecularFormula>
C9H17BrO2

>  <MDLNo>
MFCD26398445

>  <MolWt>
237.13

>  <BoilingPoint>
93 oC (1.6 Torr)

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C(CCCCBr)OC(C)(C)C

$$$$