-ISIS-  08091621332D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.5667    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6917    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5667    1.0083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
  5  4  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <ID> (BBL000673)
BBL000673

>  <Rotatable_Bonds> (BBL000673)
0

>  <logP> (BBL000673)
1.888

>  <PSA> (BBL000673)
38.33

>  <H_Donors> (BBL000673)
1

>  <H_Acceptors> (BBL000673)
2

>  <Number_of_rings> (BBL000673)
2

>  <NAME> (BBL000673)
6-chloro-1,3-benzoxazol-2(3H)-one

>  <Mol_Weight> (BBL000673)
169.57

>  <Mol_Formula> (BBL000673)
C7H4ClNO2

>  <Smiles> (BBL000673)
Clc1ccc2c(c1)oc(=O)[nH]2

>  <CAS_Number> (BBL000673)
19932-84-4

>  <Alternative_identifier> (BBL000673)
MFCD00463914

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