-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.4333    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.0083    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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
  7  5  2  0  0  0  0
M  END
>  <ID> (BBL000628)
BBL000628

>  <Rotatable_Bonds> (BBL000628)
3

>  <logP> (BBL000628)
2.513

>  <PSA> (BBL000628)
52.32

>  <H_Donors> (BBL000628)
2

>  <H_Acceptors> (BBL000628)
2

>  <Number_of_rings> (BBL000628)
1

>  <NAME> (BBL000628)
ethyl 4-amino-2-chlorobenzoate

>  <Mol_Weight> (BBL000628)
199.64

>  <Mol_Formula> (BBL000628)
C9H10ClNO2

>  <Smiles> (BBL000628)
CCOC(=O)c1ccc(cc1Cl)N

>  <CAS_Number> (BBL000628)
16017-69-9

>  <Alternative_identifier> (BBL000628)
MFCD09034640

$$$$