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2-Chloro-1H-imidazo[4,5-b]pyridine hydrochloride
2-Chloro-1H-imidazo[4,5-b]pyridine hydrochloride ID: API-28800
CAS:104685-82-7
Supplier:APIchem

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SMILES:c12c(cccn1)[nH]c(n2)Cl.Cl	ChemMol.com
FORMULA: C6H5Cl2N3
MASS: 190.0300
EXACT MASS: 188.9860525
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   N   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   C   7    2.4643     2.4643     3.9666     5.0395     5.0395     3.9666 
   N   8    1.5231     2.4643     3.9051     4.5468     4.1134     2.7826 
   N   9    2.4643     1.5230     2.7826     4.1134     4.5468     3.9050 
  Cl  10    3.9410     3.9410     5.4046     6.5490     6.5490     5.4046 
  Cl  11    6.9545     6.9545     8.3713     9.5809     9.5809     8.3713 

              C   7      N   8      N   9     Cl  10     Cl  11
              -------------------------------------------------------
   C   7    0.0000 
   N   8    1.5231     0.0000 
   N   9    1.5230     2.4643     0.0000 
  Cl  10    1.5230     2.7140     2.7140     0.0000 
  Cl  11    4.5690     5.6014     5.6014     3.0460     0.0000 



ATOMIC CHARGES
   C   1    0.1825796396
   C   2    0.1195522874
   C   3    0.0238998986
   C   4    0.0223361052
   C   5    0.1006780131
   N   6   -0.2237098638
   C   7    0.2253526825
   N   8   -0.1960929363
   N   9   -0.2136184992
  Cl  10   -0.0409773272
  Cl  11    0.0000000000


BOND ANGLES
   2    1    6  Car  Car  Nar    120.001
   2    1    8  Car  Car  Nar    108.002
   6    1    8  Nar  Car  Nar    131.997
   1    2    3  Car  Car  Car    120.001
   1    2    9  Car  Car  Nar    107.998
   3    2    9  Car  Car  Nar    132.001
   2    3    4  Car  Car  Car    120.000
   3    4    5  Car  Car  Car    119.999
   4    5    6  Car  Car  Nar    119.999
   1    6    5  Car  Nar  Car    120.000
   8    7    9  Nar  Car  Nar    108.001
   8    7   10  Nar  Car   Cl    125.999
   9    7   10  Nar  Car   Cl    126.001
   1    8    7  Car  Nar  Car    107.997
   2    9    7  Car  Nar  Car    108.002


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