1-bromo-2-isothiocyanatobenzene
  -molcms-05272622202D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -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
    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
   -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
   -1.5000   -0.8660    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8660    0.0000 N   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 S   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
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <ProductName>
1-bromo-2-isothiocyanatobenzene

>  <CASNumber>
13037-60-0

>  <MolecularFormula>
C7H4NSBr

>  <MDLNo>
MFCD00004799

>  <MolWt>
214.08

>  <BoilingPoint>
118��C/8mmHg(lit.)

>  <MeltingPoint>
20 ��C

>  <MolFile>


>  <Smiles>
C1=CC=C(C(=C1)Br)N=C=S

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