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2-Amino-6-chloropyrazine
2-Amino-6-chloropyrazine ID: API-9444
CAS:33332-28-4
Supplier:APIchem

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SMILES:Clc1nc(N)cnc1	ChemMol.com
FORMULA: C4H4ClN3
MASS: 129.5477
EXACT MASS: 129.0093748
INTERATOMIC DISTANCES

             Cl   1      N   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    1.7320     0.0000 
   N   3    2.6457     2.0000     0.0000 
   N   4    3.4641     1.7321     2.6458     0.0000 
   C   5    2.6457     1.0000     1.7320     1.0001     0.0000 
   C   6    2.9999     1.7320     1.0000     1.7321     1.0000     0.0000 
   C   7    1.0000     1.0000     1.7320     2.6458     1.7320     2.0000 
   C   8    1.7320     1.7320     1.0000     3.0000     2.0000     1.7320 
   H   9    3.6200     2.2901     1.4158     1.8397     1.4158     0.6201 
   H  10    1.8397     2.2901     1.4158     3.6201     2.6200     2.2901 
   H  11    4.0130     2.2901     2.8292     0.6200     1.4158     1.8397 
   H  12    3.5191     1.8397     3.1408     0.6200     1.4158     2.2901 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   H   9    2.6200     2.2901     0.0000 
   H  10    1.4158     0.6201     2.8060     0.0000 
   H  11    3.1408     3.3533     1.7320     3.9666     0.0000 
   H  12    2.8292     3.3533     2.4522     3.9666     1.0739     0.0000 




ATOMIC CHARGES
  Cl   1   -0.0603442109
   N   2   -0.2179242686
   N   3   -0.2568712278
   N   4   -0.3418952180
   C   5    0.1360930236
   C   6    0.0671583194
   C   7    0.1493081580
   C   8    0.0645062291
   H   9    0.0864423263
   H  10    0.0860258469
   H  11    0.1437505109
   H  12    0.1437505109


BOND ANGLES
   5    2    7  Car  Nar  Car    119.999
   6    3    8  Car  Nar  Car    119.999
   5    4   11  Car  Npl   HC    120.000
   5    4   12  Car  Npl   HC    119.998
  11    4   12   HC  Npl   HC    120.002
   2    5    4  Nar  Car  Npl    120.001
   2    5    6  Nar  Car  Car    120.001
   4    5    6  Npl  Car  Car    119.998
   3    6    5  Nar  Car  Car    120.001
   3    6    9  Nar  Car   HC    120.002
   5    6    9  Car  Car   HC    119.997
   1    7    2   Cl  Car  Nar    119.999
   1    7    8   Cl  Car  Car    120.001
   2    7    8  Nar  Car  Car    120.001
   3    8    7  Nar  Car  Car    120.001
   3    8   10  Nar  Car   HC    120.002
   7    8   10  Car  Car   HC    119.997


TORSION ANGLES
   7    2    5    4    179.974
   7    2    5    6      0.026
   5    2    7    1    179.974
   5    2    7    8      0.026
   8    3    6    5      0.026
   8    3    6    9    179.974
   6    3    8    7      0.026
   6    3    8   10    179.974
  11    4    5    2    179.974
  11    4    5    6      0.026
  12    4    5    2      0.026
  12    4    5    6    179.974
   2    5    6    3      0.026
   2    5    6    9    179.974
   4    5    6    3    179.974
   4    5    6    9      0.026
   1    7    8    3    179.974
   1    7    8   10      0.026
   2    7    8    3      0.026
   2    7    8   10    179.974