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(5,6-dichloropyridin-2-yl)methanol
(5,6-dichloropyridin-2-yl)methanol
ID: Cs00375
CAS:1227601-48-0
Supplier:Clousem

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SMILES:c1c(nc(c(c1)Cl)Cl)CO	
FORMULA: C6H5Cl2NO
MASS: 178.0160
EXACT MASS: 176.9748191
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5231     0.0000 
   N   3    2.6380     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6380     1.5231     0.0000 
   C   6    1.5229     2.6379     3.0460     2.6379     1.5230     0.0000 
  Cl   7    4.5691     4.0295     2.6380     1.5230     2.6380     4.0295 
  Cl   8    4.0295     4.5690     4.0295     2.6379     1.5230     2.6380 
   C   9    2.6380     1.5230     2.6379     4.0295     4.5691     4.0295 
   O  10    3.0460     2.6379     4.0294     5.2758     5.4913     4.5689 

             Cl   7     Cl   8      C   9      O  10
              --------------------------------------------
  Cl   7    0.0000 
  Cl   8    3.0460     0.0000 
   C   9    5.2759     6.0921     0.0000 
   O  10    6.6386     6.9793     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.0182946008
   C   2    0.0931026403
   N   3   -0.2347942444
   C   4    0.1484638098
   C   5    0.0860546544
   C   6    0.0150889039
  Cl   7   -0.0604472038
  Cl   8   -0.0797646900
   C   9    0.2274573425
   O  10   -0.2134558137


BOND ANGLES
   2    1    6  Car  Car  Car    119.998
   1    2    3  Car  Car  Nar    120.001
   1    2    9  Car  Car   C3    119.999
   3    2    9  Nar  Car   C3    120.000
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    119.999
   3    4    7  Nar  Car   Cl    120.002
   5    4    7  Car  Car   Cl    119.999
   4    5    6  Car  Car  Car    119.996
   4    5    8  Car  Car   Cl    119.996
   6    5    8  Car  Car   Cl    120.008
   1    6    5  Car  Car  Car    120.006
   2    9   10  Car   C3   O3    120.000


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