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3-Amino-1-(3-chloro-benzyl)-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-1-(3-chloro-benzyl)-1,3-dihydro-indol-2-one 1HCl salt ID: B204139
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(C(=O)C(c2c1cccc2)N)Cc1cc(Cl)ccc1	
FORMULA: C15H13ClN2O
MASS: 272.7295
EXACT MASS: 272.0716407
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.4417     0.0000 
   C   3    0.4427     0.7141     0.0000 
   C   4    0.7159     0.7141     0.4417     0.0000 
   C   5    0.7167     0.4418     0.7159     0.4427     0.0000 
   C   6    0.5003     0.8917     0.7732     1.1645     1.2168     0.0000 
   O   7    0.9571     0.6292     1.3268     1.3268     0.9571     1.2227 
   C   8    0.7046     0.9681     1.0787     1.4192     1.3697     0.3612 
   N   9    1.2181     0.8814     1.1808     0.7975     0.5034     1.7172 
   C  10    1.1085     1.3872     1.4409     1.8141     1.7888     0.6690 
   C  11    1.4285     1.6211     1.8062     2.1444     2.0515     1.0529 
   C  12    1.1373     1.1544     0.7675     0.4460     0.8126     1.5397 
  Cl  13    1.8644     2.0761     2.2196     2.5786     2.5042     1.4499 
   C  14    0.8089     1.1522     0.4445     0.7691     1.1373     0.9187 
   C  15    1.1758     1.1638     1.6171     1.8286     1.6016     1.0630 
   C  16    0.7548     0.8061     1.1949     1.4266     1.2471     0.6842 
   C  17    1.4542     1.5302     1.8781     2.1495     1.9719     1.2029 
   C  18    1.3250     1.4667     0.8885     0.7709     1.1996     1.6202 
   C  19    1.1954     1.4626     0.7667     0.8848     1.3212     1.3625 

              O   7      C   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.0964     0.0000 
   N   9    1.1935     1.8461     0.0000 
   C  10    1.4455     0.4200     2.2661     0.0000 
   C  11    1.5132     0.7295     2.4970     0.4230     0.0000 
   C  12    1.7524     1.8283     0.9616     2.2052     2.5576     0.0000 
  Cl  13    1.9518     1.1598     2.9529     0.7814     0.4562     2.9808 
   C  14    1.7495     1.2760     1.5636     1.5542     1.9613     0.8875 
   C  15    0.8470     0.7298     1.9688     0.8420     0.7274     2.2731 
   C  16    0.7184     0.4194     1.6659     0.7274     0.8409     1.8676 
   C  17    1.2668     0.8420     2.3670     0.7297     0.4194     2.5860 
   C  18    2.0909     1.9535     1.4032     2.2836     2.6720     0.4424 
   C  19    2.0867     1.7183     1.6482     1.9966     2.4054     0.7633 

             Cl  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
  Cl  13    0.0000 
   C  14    2.3266     0.0000 
   C  15    1.1302     1.9212     0.0000 
   C  16    1.2957     1.5030     0.4230     0.0000 
   C  17    0.7368     2.1162     0.4200     0.7294     0.0000 
   C  18    3.0642     0.7711     2.5002     2.0798     2.7658     0.0000 
   C  19    2.7656     0.4445     2.3458     1.9242     2.5566     0.4417 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   N   1   -0.2531552895
   C   2    0.2513258191
   C   3    0.0520154415
   C   4    0.0175222987
   C   5    0.1915143765
   C   6    0.1247853629
   O   7   -0.2726003846
   C   8   -0.0011594273
   N   9   -0.1181848200
   C  10    0.0087934312
   C  11    0.0574116738
   C  12   -0.0011642381
  Cl  13   -0.0822539817
   C  14    0.0146486224
   C  15    0.0005966613
   C  16   -0.0025482209
   C  17    0.0113752883
   C  18   -0.0001831423
   C  19    0.0012605286


BOND ANGLES
   2    1    3   C2  Nam  Car    107.693
   2    1    6   C2  Nam   C3    142.299
   3    1    6  Car  Nam   C3    110.008
   1    2    5  Nam   C2   C3    108.432
   1    2    7  Nam   C2   O2    125.788
   5    2    7   C3   C2   O2    125.780
   1    3    4  Nam  Car  Car    108.095
   1    3   14  Nam  Car  Car    131.498
   4    3   14  Car  Car  Car    120.407
   3    4   12  Car  Car  Car    119.675
   3    4    5  Car  Car   C3    108.095
   5    4   12   C3  Car  Car    132.230
   2    5    9   C2   C3   N3    137.569
   2    5    4   C2   C3  Car    107.685
   4    5    9  Car   C3   N3    114.746
   1    6    8  Nam   C3  Car    108.682
   6    8   10   C3  Car  Car    117.638
   6    8   16   C3  Car  Car    122.262
  10    8   16  Car  Car  Car    120.100
   8   10   11  Car  Car  Car    119.839
  10   11   13  Car  Car   Cl    125.411
  10   11   17  Car  Car  Car    120.052
  13   11   17   Cl  Car  Car    114.537
   4   12   18  Car  Car  Car    120.388
   3   14   19  Car  Car  Car    119.180
  16   15   17  Car  Car  Car    119.826
   8   16   15  Car  Car  Car    120.061
  11   17   15  Car  Car  Car    120.123
  12   18   19  Car  Car  Car    119.393
  14   19   18  Car  Car  Car    120.958


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    6    179.974
   7    2    1    3    179.974
   7    2    1    6      0.026
   4    3    1    2      0.026
   4    3    1    6    179.974
  14    3    1    2    179.974
  14    3    1    6      0.026
  12    4    3    1    179.974
  12    4    3   14      0.026
   5    4    3    1      0.026
   5    4    3   14    179.974
   9    5    2    1    179.974
   9    5    2    7      0.026
   4    5    2    1      0.026
   4    5    2    7    179.974
   8    6    1    2      0.026
   8    6    1    3    179.974
  10    8    6    1    179.974
  16    8    6    1      0.026
  11   10    8    6    179.974
  11   10    8   16      0.026
  13   11   10    8    179.974
  17   11   10    8      0.026
  18   12    4    3      0.026
  18   12    4    5    179.974
  19   14    3    1    179.974
  19   14    3    4      0.026
  17   15   16    8      0.026
  15   16    8    6    179.974
  15   16    8   10      0.026
  11   17   15   16      0.026
  12   18   19   14      0.026
  18   19   14    3      0.026
   3    4    5    2      0.026
   3    4    5    9    179.974
  12    4    5    2    179.974
  12    4    5    9      0.026
  19   18   12    4      0.026
  15   17   11   10      0.026
  15   17   11   13    179.974


CHIRAL ATOMS
  15   17   11   13    179.974