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3-bromo-5-methoxypyridine
3-bromo-5-methoxypyridine
ID: Cs00335
CAS:50720-12-2
Supplier:Clousem

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SMILES:c1(cncc(c1)OC)Br	
FORMULA: C6H6BrNO
MASS: 188.0219
EXACT MASS: 186.9632758
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   N   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 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
  Br   7    1.5176     2.6332     4.0244     4.5636     4.0244     2.6333 
   O   8    4.0245     4.5637     4.0244     2.6333     1.5177     2.6333 
   C   9    5.2713     5.4862     4.5637     3.0407     2.6334     4.0255 

             Br   7      O   8      C   9
              ---------------------------------
  Br   7    0.0000 
   O   8    5.2666     0.0000 
   C   9    6.6295     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.0567297146
   C   2    0.1057370809
   N   3   -0.2386253112
   C   4    0.1356588354
   C   5    0.1583120346
   C   6    0.0467627402
  Br   7   -0.0472792391
   O   8   -0.4698389891
   C   9    0.2525431337


BOND ANGLES
   2    1    6  Car  Car  Car    119.999
   2    1    7  Car  Car   Br    120.000
   6    1    7  Car  Car   Br    120.001
   1    2    3  Car  Car  Nar    119.999
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    120.001
   4    5    6  Car  Car  Car    120.001
   4    5    8  Car  Car   O3    119.998
   6    5    8  Car  Car   O3    120.001
   1    6    5  Car  Car  Car    120.000
   5    8    9  Car   O3   C3    120.003


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