-ISIS-  08091621332D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.0667    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708   -0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.9958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  3  5  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <ID> (BBL000533)
BBL000533

>  <Rotatable_Bonds> (BBL000533)
0

>  <logP> (BBL000533)
2.112

>  <PSA> (BBL000533)
41.57

>  <H_Donors> (BBL000533)
1

>  <H_Acceptors> (BBL000533)
0

>  <Number_of_rings> (BBL000533)
2

>  <NAME> (BBL000533)
5-bromo-1H-benzotriazole

>  <Mol_Weight> (BBL000533)
198.02

>  <Mol_Formula> (BBL000533)
C6H4BrN3

>  <Smiles> (BBL000533)
Brc1ccc2c(c1)nn[nH]2

>  <CAS_Number> (BBL000533)
32046-62-1

>  <Alternative_identifier> (BBL000533)
MFCD00464510

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