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2-IODO-5-CHLOROPYRIDINE
2-IODO-5-CHLOROPYRIDINE ID: API-9455
CAS:244221-57-6
Supplier:APIchem

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SMILES:Ic1ccc(Cl)nc1	ChemMol.com
FORMULA: C5H3ClIN
MASS: 239.4415
EXACT MASS: 238.8998748
INTERATOMIC DISTANCES

              I   1     Cl   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   I   1    0.0000 
  Cl   2    4.0000     0.0000 
   N   3    2.6458     1.7320     0.0000 
   C   4    1.7321     2.6457     2.0000     0.0000 
   C   5    1.0000     3.0000     1.7321     1.0001     0.0000 
   C   6    2.6458     1.7320     1.7320     1.0000     1.7321     0.0000 
   C   7    1.7320     2.6458     1.0001     1.7321     1.0000     2.0000 
   C   8    3.0000     1.0000     1.0000     1.7320     2.0000     1.0000 
   H   9    1.8397     3.1407     2.6200     0.6200     1.4158     1.4158 
   H  10    3.1408     1.8397     2.2900     1.4157     2.2901     0.6200 
   H  11    1.8397     3.1408     1.4158     2.2901     1.4158     2.6200 

              C   7      C   8      H   9      H  10      H  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   H   9    2.2901     2.2901     0.0000 
   H  10    2.6200     1.4158     1.6199     0.0000 
   H  11    0.6200     2.2901     2.8059     3.2400     0.0000 



ATOMIC CHARGES
   I   1   -0.0422526254
  Cl   2   -0.0620268125
   N   3   -0.2425198273
   C   4   -0.0442955244
   C   5    0.0315496976
   C   6   -0.0238253661
   C   7    0.0423383997
   C   8    0.1292680147
   H   9    0.0629247150
   H  10    0.0647935560
   H  11    0.0840457726


BOND ANGLES
   7    3    8  Car  Nar  Car    120.001
   5    4    6  Car  Car  Car    120.001
   5    4    9  Car  Car   HC    119.998
   6    4    9  Car  Car   HC    120.001
   1    5    4    I  Car  Car    120.001
   1    5    7    I  Car  Car    120.001
   4    5    7  Car  Car  Car    119.998
   4    6    8  Car  Car  Car    120.001
   4    6   10  Car  Car   HC    119.998
   8    6   10  Car  Car   HC    120.002
   3    7    5  Nar  Car  Car    119.998
   3    7   11  Nar  Car   HC    120.000
   5    7   11  Car  Car   HC    120.002
   2    8    3   Cl  Car  Nar    119.999
   2    8    6   Cl  Car  Car    120.001
   3    8    6  Nar  Car  Car    120.001


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