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2-BROMOPYRIMIDINE
2-BROMOPYRIMIDINE
ID: BP-12089
CAS:4595-60-2
Supplier:BroadPharm

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SMILES:c1(ncccn1)Br	
FORMULA: C4H3BrN2
MASS: 158.9840
EXACT MASS: 157.9479601
INTERATOMIC DISTANCES

              C   1      N   2      N   3     Br   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.4177     0.0000 
   N   3    1.4140     2.4708     0.0000 
  Br   4    1.4500     2.4735     2.4714     0.0000 
   C   5    2.8542     2.4915     2.4895     4.3042     0.0000 
   C   6    2.4678     2.8627     1.4458     3.7936     1.4264     0.0000 
   C   7    2.4699     1.4458     2.8627     3.7949     1.4301     2.4708 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   C   1    0.1981661649
   N   2   -0.2192955853
   N   3   -0.2192955853
  Br   4   -0.0063129016
   C   5    0.0413954794
   C   6    0.1026712140
   C   7    0.1026712140


BOND ANGLES
   2    1    3  Nar  Car  Nar    121.511
   2    1    4  Nar  Car   Br    119.203
   3    1    4  Nar  Car   Br    119.286
   1    2    7  Car  Nar  Car    119.203
   1    3    6  Car  Nar  Car    119.286
   6    5    7  Car  Car  Car    119.761
   3    6    5  Nar  Car  Car    120.162
   2    7    5  Nar  Car  Car    120.077


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