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Products Information

2-bromopyrazine
2-bromopyrazine ID: AN-40148
CAS:56423-63-3
Supplier:AN PharmaTech Co Ltd

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SMILES:Brc1nccnc1	642800
FORMULA: C4H3BrN2
MASS: 158.9840
EXACT MASS: 157.9479601
INTERATOMIC DISTANCES

             Br   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   N   2    1.7320     0.0000 
   N   3    2.6457     2.0000     0.0000 
   C   4    1.0000     1.0000     1.7320     0.0000 
   C   5    1.7320     1.7320     1.0000     1.0000     0.0000 
   C   6    2.6458     1.0001     1.7321     1.7321     2.0000     0.0000 
   C   7    3.0000     1.7321     1.0001     2.0000     1.7321     1.0000 
   H   8    1.8397     2.2900     1.4157     1.4158     0.6200     2.6200 
   H   9    3.1408     1.4158     2.2901     2.2901     2.6200     0.6200 
   H  10    3.6200     2.2901     1.4158     2.6200     2.2901     1.4158 

              C   7      H   8      H   9      H  10
              --------------------------------------------
   C   7    0.0000 
   H   8    2.2901     0.0000 
   H   9    1.4158     3.2400     0.0000 
   H  10    0.6200     2.8059     1.6200     0.0000 



ATOMIC CHARGES
  Br   1   -0.0271246352
   N   2   -0.2452116395
   N   3   -0.2591273530
   C   4    0.1242458580
   C   5    0.0599057501
   C   6    0.0469256159
   C   7    0.0457273169
   H   8    0.0856500465
   H   9    0.0845245820
   H  10    0.0844844584


BOND ANGLES
   4    2    6  Car  Nar  Car    120.001
   5    3    7  Car  Nar  Car    120.001
   1    4    2   Br  Car  Nar    119.999
   1    4    5   Br  Car  Car    120.001
   2    4    5  Nar  Car  Car    120.001
   3    5    4  Nar  Car  Car    120.001
   3    5    8  Nar  Car   HC    119.998
   4    5    8  Car  Car   HC    120.002
   2    6    7  Nar  Car  Car    119.998
   2    6    9  Nar  Car   HC    120.000
   7    6    9  Car  Car   HC    120.002
   3    7    6  Nar  Car  Car    119.998
   3    7   10  Nar  Car   HC    120.000
   6    7   10  Car  Car   HC    120.002


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