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5-chloro-8-iodoH-imidazo[1,2-a]pyridine
5-chloro-8-iodoH-imidazo[1,2-a]pyridine
ID: BP-11678
Supplier:BroadPharm

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SMILES:n12c(ncc2)c(ccc1Cl)I	
FORMULA: C7H4ClIN2
MASS: 278.4775
EXACT MASS: 277.9107738
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.6011     1.0399     0.0000 
   N   4    0.9726     0.6008     1.5409     0.0000 
   C   5    1.0399     0.6011     1.2000     1.0975     0.0000 
   C   6    1.0417     1.2021     0.6010     1.7945     1.0398     0.0000 
   C   7    1.2021     1.0417     1.0398     1.6234     0.6010     0.6000 
   C   8    0.6008     0.9726     1.0975     0.9750     1.5409     1.6234 
   C   9    0.9684     0.9684     1.5616     0.6001     1.5616     1.9853 
  Cl  10    1.0399     1.5879     0.6000     2.0098     1.8000     1.0398 
   I  11    1.5879     1.0399     1.8000     1.3036     0.6000     1.5878 

              C   7      C   8      C   9     Cl  10      I  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.7945     0.0000 
   C   9    1.9853     0.6001     0.0000 
  Cl  10    1.5878     1.3036     1.8758     0.0000 
   I  11    1.0398     2.0098     1.8758     2.4000     0.0000 



ATOMIC CHARGES
   N   1   -0.2792037991
   C   2    0.1537666256
   C   3    0.1239347947
   N   4   -0.2243878571
   C   5    0.0645506694
   C   6    0.0298903738
   C   7    0.0111990260
   C   8    0.1028545190
   C   9    0.1195570630
  Cl  10   -0.0627815020
   I  11   -0.0393799133


BOND ANGLES
   2    1    3  Car  Nar  Car    119.939
   2    1    8  Car  Nar  Car    108.185
   3    1    8  Car  Nar  Car    131.877
   1    2    4  Nar  Car  Nar    108.185
   1    2    5  Nar  Car  Car    119.939
   4    2    5  Nar  Car  Car    131.877
   1    3    6  Nar  Car  Car    120.118
   1    3   10  Nar  Car   Cl    119.939
   6    3   10  Car  Car   Cl    119.944
   2    4    9  Car  Nar  Car    107.492
   2    5    7  Car  Car  Car    120.118
   2    5   11  Car  Car    I    119.939
   7    5   11  Car  Car    I    119.944
   3    6    7  Car  Car  Car    119.944
   5    7    6  Car  Car  Car    119.944
   1    8    9  Nar  Car  Car    107.492
   4    9    8  Nar  Car  Car    108.647


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