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4-bromo-N-methylpyridin-2-amine
4-bromo-N-methylpyridin-2-amine
ID: Cs00331
CAS:468718-65-2
Supplier:Clousem

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SMILES:c1cnc(cc1Br)NC	
FORMULA: C6H7BrN2
MASS: 187.0372
EXACT MASS: 185.9792602
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5177     0.0000 
   N   3    2.6288     1.5177     0.0000 
   C   4    3.0354     2.6287     1.5177     0.0000 
   C   5    2.6288     3.0354     2.6287     1.5177     0.0000 
   C   6    1.5177     2.6287     3.0354     2.6287     1.5177     0.0000 
   N   7    4.5532     4.0154     2.6287     1.5177     2.6287     4.0155 
  Br   8    2.6288     4.0155     4.5531     4.0155     2.6287     1.5177 
   C   9    5.4759     5.2621     4.0205     2.6334     3.0381     4.5558 

              N   7     Br   8      C   9
              ---------------------------------
   N   7    0.0000 
  Br   8    5.2575     0.0000 
   C   9    1.5231     5.4736     0.0000 



ATOMIC CHARGES
   C   1    0.0274656619
   C   2    0.1008682424
   N   3   -0.2276905329
   C   4    0.1480619535
   C   5    0.0424752413
   C   6    0.0389383088
   N   7   -0.2184093240
  Br   8   -0.0488539127
   C   9    0.1371443617


BOND ANGLES
   2    1    6  Car  Car  Car    119.996
   1    2    3  Car  Car  Nar    120.003
   2    3    4  Car  Nar  Car    119.999
   3    4    5  Nar  Car  Car    120.002
   3    4    7  Nar  Car  Npl    119.999
   5    4    7  Car  Car  Npl    119.999
   4    5    6  Car  Car  Car    119.999
   1    6    5  Car  Car  Car    120.001
   5    6    8  Car  Car   Br    119.999
   1    6    8  Car  Car   Br    120.000
   4    7    9  Car  Npl   C3    120.000


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