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3-Amino-1-(2-chloro-benzyl)-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-1-(2-chloro-benzyl)-1,3-dihydro-indol-2-one 1HCl salt ID: B204140
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(C(=O)C(c2c1cccc2)N)Cc1c(Cl)cccc1	
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    0.4442     0.0000 
   C   3    0.4428     0.7182     0.0000 
   C   4    0.7160     0.7182     0.4417     0.0000 
   C   5    0.7167     0.4442     0.7160     0.4428     0.0000 
   C   6    0.5003     0.8929     0.7732     1.1645     1.2168     0.0000 
   C   7    0.7066     0.9681     1.0817     1.4214     1.3707     0.3652 
   O   8    0.8918     0.5541     1.2571     1.2570     0.8917     1.1734 
   C   9    1.1090     1.3897     1.4392     1.8137     1.7907     0.6670 
   N  10    1.2181     0.8823     1.1808     0.7975     0.5034     1.7172 
  Cl  11    1.3628     1.7367     1.5660     1.9932     2.0794     0.8626 
   C  12    1.1343     1.1545     0.7654     0.4423     0.8085     1.5374 
   C  13    0.8089     1.1561     0.4445     0.7690     1.1373     0.9186 
   C  14    0.7696     0.8176     1.2097     1.4415     1.2608     0.6943 
   C  15    1.4288     1.6254     1.8036     2.1448     2.0561     1.0478 
   C  16    1.3212     1.4667     0.8847     0.7666     1.1954     1.6170 
   C  17    1.1954     1.4667     0.7666     0.8847     1.3212     1.3624 
   C  18    1.1879     1.1787     1.6289     1.8440     1.6198     1.0668 
   C  19    1.4628     1.5432     1.8848     2.1605     1.9873     1.2033 

              C   7      O   8      C   9      N  10     Cl  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.0625     0.0000 
   C   9    0.4220     1.4315     0.0000 
   N  10    1.8467     1.1453     2.2687     0.0000 
  Cl  11    0.8301     1.8925     0.5293     2.5794     0.0000 
   C  12    1.8282     1.6799     2.2015     0.9579     2.3175     0.0000 
   C  13    1.2797     1.6810     1.5500     1.5636     1.5232     0.8875 
   C  14    0.4204     0.7070     0.7305     1.6783     1.2205     1.8792 
   C  15    0.7256     1.5250     0.4180     2.5036     0.8197     2.5538 
   C  16    1.9533     2.0162     2.2775     1.3994     2.2914     0.4423 
   C  17    1.7220     2.0162     1.9921     1.6482     1.9314     0.7654 
   C  18    0.7261     0.8869     0.8408     1.9887     1.3700     2.2848 
   C  19    0.8389     1.3058     0.7261     2.3853     1.2110     2.5928 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.5165     0.0000 
   C  15    1.9542     0.8398     0.0000 
   C  16    0.7690     2.0908     2.6642     0.0000 
   C  17    0.4445     1.9382     2.3981     0.4417     0.0000 
   C  18    1.9294     0.4194     0.7266     2.5089     2.3552     0.0000 
   C  19    2.1180     0.7288     0.4178     2.7684     2.5591     0.4219 

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



ATOMIC CHARGES
   N   1   -0.2531278231
   C   2    0.2513261287
   C   3    0.0520158339
   C   4    0.0175223003
   C   5    0.1915143779
   C   6    0.1255938265
   C   7    0.0085930830
   O   8   -0.2726003833
   C   9    0.0553065484
   N  10   -0.1181848200
  Cl  11   -0.0825180434
   C  12   -0.0011642381
   C  13    0.0146486240
   C  14   -0.0017636683
   C  15    0.0111296032
   C  16   -0.0001831423
   C  17    0.0012605286
   C  18   -0.0002155014
   C  19    0.0008467654


BOND ANGLES
   2    1    3   C2  Nam  Car    108.129
   2    1    6   C2  Nam   C3    141.879
   3    1    6  Car  Nam   C3    109.993
   1    2    5  Nam   C2   C3    107.553
   1    2    8  Nam   C2   O2    126.220
   5    2    8   C3   C2   O2    126.227
   1    3    4  Nam  Car  Car    108.091
   1    3   13  Nam  Car  Car    131.496
   4    3   13  Car  Car  Car    120.413
   3    4   12  Car  Car  Car    119.944
   3    4    5  Car  Car   C3    108.091
   5    4   12   C3  Car  Car    131.965
   2    5   10   C2   C3   N3    137.122
   2    5    4   C2   C3  Car    108.136
   4    5   10  Car   C3   N3    114.742
   1    6    7  Nam   C3  Car    108.466
   6    7    9   C3  Car  Car    115.658
   6    7   14   C3  Car  Car    124.074
   9    7   14  Car  Car  Car    120.268
   7    9   11  Car  Car   Cl    121.116
   7    9   15  Car  Car  Car    119.510
  11    9   15   Cl  Car  Car    119.373
   4   12   16  Car  Car  Car    120.112
   3   13   17  Car  Car  Car    119.173
   7   14   18  Car  Car  Car    119.684
   9   15   19  Car  Car  Car    120.656
  12   16   17  Car  Car  Car    119.944
  13   17   16  Car  Car  Car    120.413
  14   18   19  Car  Car  Car    120.050
  15   19   18  Car  Car  Car    119.831


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


CHIRAL ATOMS
  18   19   15    9      0.026