methyl 4-bromo-2-(1-cyanocyclopropyl)benzoate
  -molcms-05312601382D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -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 O   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
    0.0000   -1.0000    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   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -3.0000    0.0000 Br  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
   -0.3420    0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848    0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848    0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696    0.3473    0.0000 N   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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <ProductName>
methyl 4-bromo-2-(1-cyanocyclopropyl)benzoate

>  <CASNumber>
2680532-26-5

>  <MolecularFormula>
C12 H10 Br N O2

>  <MDLNo>


>  <MolWt>
280.12

>  <BoilingPoint>
426.6��45.0 ��C

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
COC(=O)C1=C(C=C(C=C1)Br)C2(CC2)C#N

$$$$