-ISIS-  08091621332D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.4417    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    0.9917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -1.0042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
  4  6  2  0  0  0  0
M  END
>  <ID> (BBL000201)
BBL000201

>  <Rotatable_Bonds> (BBL000201)
4

>  <logP> (BBL000201)
4.476

>  <PSA> (BBL000201)
46.53

>  <H_Donors> (BBL000201)
1

>  <H_Acceptors> (BBL000201)
3

>  <Number_of_rings> (BBL000201)
1

>  <NAME> (BBL000201)
2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde

>  <Mol_Weight> (BBL000201)
323.97

>  <Mol_Formula> (BBL000201)
C9H8Br2O3

>  <Smiles> (BBL000201)
CCOc1cc(Br)c(c(c1O)C=O)Br

>  <Alternative_identifier> (BBL000201)
MFCD00297095

$$$$