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4-Chloro-N-methylaniline
4-Chloro-N-methylaniline ID: API-42897
CAS:932-96-7
Supplier:APIchem

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SMILES:Clc1ccc(NC)cc1	ChemMol.com
FORMULA: C7H8ClN
MASS: 141.5981
EXACT MASS: 141.0345269
INTERATOMIC DISTANCES

             Cl   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    4.0000     0.0000 
   C   3    3.0000     1.0000     0.0000 
   C   4    2.6457     1.7320     1.0000     0.0000 
   C   5    2.6457     1.7320     1.0000     1.7320     0.0000 
   C   6    1.7320     2.6457     1.7320     1.0000     2.0000     0.0000 
   C   7    1.7320     2.6457     1.7320     2.0000     1.0000     1.7320 
   C   8    1.0000     3.0000     2.0000     1.7320     1.7320     1.0000 
   C   9    4.5826     1.0000     1.7320     2.0000     2.6457     3.0000 
   H  10    3.1408     1.8397     1.4158     0.6201     2.2901     1.4158 
   H  11    3.1407     1.8396     1.4157     2.2900     0.6200     2.6199 
   H  12    4.3433     0.6200     1.4158     2.2900     1.8397     3.1407 
   H  13    1.8397     3.1408     2.2901     1.4158     2.6200     0.6201 
   H  14    1.8396     3.1407     2.2900     2.6199     1.4158     2.2900 
   H  15    4.1339     1.1766     1.5200     1.4956     2.5121     2.4825 
   H  16    5.0104     1.6200     2.2901     2.3716     3.2380     3.3533 
   H  17    5.0675     1.1766     2.1114     2.5558     2.9083     3.5505 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    3.4641     3.6055     0.0000 
   H  10    2.6200     2.2901     1.7733     0.0000 
   H  11    1.4158     2.2900     2.8291     2.8059     0.0000 
   H  12    2.8292     3.3533     1.4157     2.4522     1.7320     0.0000 
   H  13    2.2901     1.4158     3.3533     1.6200     3.2400     3.6739 
   H  14    0.6200     1.4157     4.0130     3.2400     1.6200     3.2380 
   H  15    3.1995     3.1879     0.6200     1.1752     2.8250     1.7477 
   H  16    4.0130     4.0601     0.6201     2.0000     3.4457     2.0033 
   H  17    3.8121     4.0750     0.6200     2.3825     2.9659     1.3126 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    2.8059     0.0000 
   H  15    2.7824     3.7869     0.0000 
   H  16    3.6200     4.5801     0.8768     0.0000 
   H  17    3.9390     4.3169     1.2399     0.8769     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0835399983
   N   2   -0.3468997726
   C   3    0.0269578328
   C   4   -0.0394862768
   C   5   -0.0394862768
   C   6   -0.0416479400
   C   7   -0.0416479400
   C   8    0.0410897891
   C   9   -0.0024203683
   H  10    0.0636376864
   H  11    0.0636376864
   H  12    0.1457419598
   H  13    0.0632639584
   H  14    0.0632639584
   H  15    0.0425119004
   H  16    0.0425119004
   H  17    0.0425119004


BOND ANGLES
   3    2    9  Car  Npl   C3    120.001
   3    2   12  Car  Npl   HC    120.002
   9    2   12   C3  Npl   HC    119.998
   2    3    4  Npl  Car  Car    120.001
   2    3    5  Npl  Car  Car    120.001
   4    3    5  Car  Car  Car    119.999
   3    4    6  Car  Car  Car    120.001
   3    4   10  Car  Car   HC    120.002
   6    4   10  Car  Car   HC    119.997
   3    5    7  Car  Car  Car    120.001
   3    5   11  Car  Car   HC    119.998
   7    5   11  Car  Car   HC    120.002
   4    6    8  Car  Car  Car    120.001
   4    6   13  Car  Car   HC    119.997
   8    6   13  Car  Car   HC    120.002
   5    7    8  Car  Car  Car    120.001
   5    7   14  Car  Car   HC    120.002
   8    7   14  Car  Car   HC    119.998
   1    8    6   Cl  Car  Car    120.001
   1    8    7   Cl  Car  Car    120.001
   6    8    7  Car  Car  Car    119.999
   2    9   15  Npl   C3   HC     90.001
   2    9   16  Npl   C3   HC    179.974
   2    9   17  Npl   C3   HC     89.999
  15    9   16   HC   C3   HC     89.995
  15    9   17   HC   C3   HC    179.974
  16    9   17   HC   C3   HC     90.005


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