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4-(2-Chloro-phenyl)-piperidine 1HCl salt
4-(2-Chloro-phenyl)-piperidine 1HCl salt ID: B204122
CAS:82211-92-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(Cl)cccc1)C1CCNCC1	
FORMULA: C11H14ClN
MASS: 195.6886
EXACT MASS: 195.0814771
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4     Cl   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2625     0.0000 
   C   3    0.4331     1.5270     0.0000 
   C   4    0.3958     0.8667     0.7204     0.0000 
  Cl   5    0.8219     1.5432     0.4789     0.9338     0.0000 
   C   6    1.1124     0.4331     1.4706     0.7504     1.6195     0.0000 
   C   7    1.1110     0.4368     1.2625     0.7525     1.1753     0.7542 
   C   8    0.4331     1.5250     0.7500     0.7160     1.2085     1.2625 
   C   9    0.7504     1.9497     0.4333     1.1124     0.7542     1.8560 
   C  10    0.7204     0.7504     1.1209     0.4331     1.3667     0.4333 
   C  11    0.7182     0.7525     0.8292     0.4368     0.7917     0.8698 
   C  12    0.7504     1.9481     0.8662     1.1096     1.3416     1.6958 
   C  13    0.8667     2.1292     0.7504     1.2625     1.1638     1.9497 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4685     0.0000 
   C   9    1.6958     0.8662     0.0000 
   C  10    0.8698     0.8292     1.4706     0.0000 
   C  11    0.4333     1.1181     1.2625     0.7542     0.0000 
   C  12    1.8542     0.4333     0.7500     1.2625     1.4685     0.0000 
   C  13    1.9489     0.7504     0.4331     1.5270     1.5260     0.4331 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1   -0.0118322947
   N   2   -0.2180289511
   C   3    0.0536831604
   C   4    0.0260252060
  Cl   5   -0.0825729390
   C   6    0.0890322740
   C   7    0.0890322740
   C   8   -0.0034425386
   C   9    0.0110753854
   C  10    0.0232262344
   C  11    0.0232262344
   C  12   -0.0002694442
   C  13    0.0008453989


BOND ANGLES
   3    1    4  Car  Car   C3    120.630
   3    1    8  Car  Car  Car    119.956
   4    1    8   C3  Car  Car    119.414
   6    2    7   C3   N3   C3    120.231
   1    3    5  Car  Car   Cl    128.545
   1    3    9  Car  Car  Car    120.022
   5    3    9   Cl  Car  Car    111.433
   1    4   10  Car   C3   C3    120.630
   1    4   11  Car   C3   C3    119.139
  10    4   11   C3   C3   C3    120.231
   2    6   10   N3   C3   C3    120.022
   2    7   11   N3   C3   C3    119.747
   1    8   12  Car  Car  Car    120.022
   3    9   13  Car  Car  Car    120.022
   4   10    6   C3   C3   C3    120.022
   4   11    7   C3   C3   C3    119.747
   8   12   13  Car  Car  Car    120.022
   9   13   12  Car  Car  Car    119.956


TORSION ANGLES
   7    2    6   10      0.026
   5    3    1    4      0.026
   5    3    1    8    179.974
   9    3    1    4    179.974
   9    3    1    8      0.026
  10    4    1    3    179.974
  10    4    1    8      0.026
  11    4    1    3      0.026
  11    4    1    8    179.974
   2    6   10    4      0.026
   2    7   11    4      0.026
  12    8    1    3      0.026
  12    8    1    4    179.974
  13    9    3    1      0.026
  13    9    3    5    179.974
   6   10    4    1    179.974
   6   10    4   11      0.026
   7   11    4    1    179.974
   7   11    4   10      0.026
  13   12    8    1      0.026
  12   13    9    3      0.026
  11    7    2    6      0.026
   8   12   13    9      0.026