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4-chloroimidazole
4-chloroimidazole ID: API-9359
CAS:15965-31-8
Supplier:APIchem

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SMILES:Clc1[nH]cnc1	ChemMol.com
FORMULA: C3H3ClN2
MASS: 102.5223
EXACT MASS: 101.9984758
INTERATOMIC DISTANCES

             Cl   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    1.7820     0.0000 
   N   3    2.5876     1.6180     0.0000 
   C   4    1.0001     1.0000     1.6180     0.0000 
   C   5    1.7821     1.6180     1.0000     0.9999     0.0000 
   C   6    2.5876     1.0000     0.9999     1.6180     1.6180     0.0000 
   H   7    1.9763     0.6200     2.2159     1.4537     2.2159     1.4537 
   H   8    1.9763     2.2159     1.4537     1.4537     0.6200     2.2159 
   H   9    3.1610     1.4537     1.4537     2.2160     2.2160     0.6200 

              H   7      H   8      H   9
              ---------------------------------
   H   7    0.0000 
   H   8    2.7973     0.0000 
   H   9    1.7289     2.7973     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0624242797
   N   2   -0.3356718110
   N   3   -0.2427377483
   C   4    0.1260497028
   C   5    0.0641094863
   C   6    0.0943839320
   H   7    0.1675951428
   H   8    0.0860160270
   H   9    0.1026795481


BOND ANGLES
   4    2    6  Car  Nar  Car    107.997
   4    2    7  Car  Nar   HC    126.001
   6    2    7  Car  Nar   HC    126.001
   5    3    6  Car  Nar  Car    108.000
   1    4    2   Cl  Car  Nar    125.995
   1    4    5   Cl  Car  Car    126.004
   2    4    5  Nar  Car  Car    108.001
   3    5    4  Nar  Car  Car    108.000
   3    5    8  Nar  Car   HC    125.997
   4    5    8  Car  Car   HC    126.002
   2    6    3  Nar  Car  Nar    108.001
   2    6    9  Nar  Car   HC    125.999
   3    6    9  Nar  Car   HC    126.000


TORSION ANGLES
   6    2    4    1    179.974
   6    2    4    5      0.026
   7    2    4    1      0.026
   7    2    4    5    179.974
   4    2    6    3      0.026
   4    2    6    9    179.974
   7    2    6    3    179.974
   7    2    6    9      0.026
   6    3    5    4      0.026
   6    3    5    8    179.974
   5    3    6    2      0.026
   5    3    6    9    179.974
   1    4    5    3    179.974
   1    4    5    8      0.026
   2    4    5    3      0.026
   2    4    5    8    179.974