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2,3-Diamino-5-bromopyridine
2,3-Diamino-5-bromopyridine 
ID: BP-12098
CAS:38875-53-5
Supplier:BroadPharm

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SMILES:n1c(c(cc(c1)Br)N)N	
FORMULA: C5H6BrN3
MASS: 188.0252
EXACT MASS: 186.9745092
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2507     0.0000 
   C   3    2.1654     1.2500     0.0000 
   C   4    2.5000     2.1654     1.2507     0.0000 
   C   5    2.1634     2.4978     2.1625     1.2471     0.0000 
   C   6    1.2471     2.1625     2.4978     2.1634     1.2500     0.0000 
   N   7    2.1666     1.2507     2.1654     3.3082     3.7484     3.3054 
   N   8    3.3082     2.1654     1.2507     2.1666     3.3054     3.7484 
  Br   9    3.3055     3.7484     3.3054     2.1625     1.2507     2.1654 

              N   7      N   8     Br   9
              ---------------------------------
   N   7    0.0000 
   N   8    2.5000     0.0000 
  Br   9    4.9991     4.3291     0.0000 



ATOMIC CHARGES
   N   1   -0.2242848957
   C   2    0.1865568041
   C   3    0.1242523180
   C   4    0.0292665781
   C   5    0.0551506306
   C   6    0.1071447417
   N   7   -0.1057473627
   N   8   -0.1250020202
  Br   9   -0.0473367938


BOND ANGLES
   2    1    6  Car  Nar  Car    119.941
   1    2    3  Nar  Car  Car    119.982
   1    2    7  Nar  Car  Npl    120.035
   3    2    7  Car  Car  Npl    119.982
   2    3    4  Car  Car  Car    119.982
   2    3    8  Car  Car  Npl    119.982
   4    3    8  Car  Car  Npl    120.035
   3    4    5  Car  Car  Car    119.941
   6    5    9  Car  Car   Br    119.982
   4    5    6  Car  Car  Car    120.077
   4    5    9  Car  Car   Br    119.941
   1    6    5  Nar  Car  Car    120.077


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