-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.4333    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.2583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    1.7625    0.0000 C   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  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
>  <ID> (BBL000626)
BBL000626

>  <Rotatable_Bonds> (BBL000626)
3

>  <logP> (BBL000626)
2.054

>  <PSA> (BBL000626)
52.32

>  <H_Donors> (BBL000626)
2

>  <H_Acceptors> (BBL000626)
2

>  <Number_of_rings> (BBL000626)
1

>  <NAME> (BBL000626)
ethyl 5-amino-2-chlorobenzoate

>  <Mol_Weight> (BBL000626)
199.64

>  <Mol_Formula> (BBL000626)
C9H10ClNO2

>  <Smiles> (BBL000626)
CCOC(=O)c1cc(N)ccc1Cl

>  <CAS_Number> (BBL000626)
64401-55-4

>  <Alternative_identifier> (BBL000626)
MFCD00115822

$$$$