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2-amino-4,6-dichloro-pyrimidine-5-carbaldehyde
2-amino-4,6-dichloro-pyrimidine-5-carbaldehyde ID: AN-12796
CAS:5604-46-6
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1nc(nc(Cl)c1C=O)N	265546
FORMULA: C5H3Cl2N3O
MASS: 192.0028
EXACT MASS: 190.9653171
INTERATOMIC DISTANCES

             Cl   1     Cl   2      O   3      N   4      N   5      N   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    3.4641     0.0000 
   O   3    3.0000     1.7321     0.0000 
   N   4    1.7321     3.0000     3.4641     0.0000 
   N   5    3.0000     1.7320     3.0000     1.7320     0.0000 
   N   6    3.4641     3.4641     4.5826     1.7320     1.7320     0.0000 
   C   7    1.7321     1.7320     1.7321     1.7320     1.7320     2.9999 
   C   8    1.0001     2.6457     2.6458     1.0000     2.0000     2.6457 
   C   9    2.6458     1.0000     2.0000     2.0000     1.0000     2.6457 
   C  10    2.6458     2.6457     3.6056     1.0000     1.0000     1.0000 
   C  11    2.0000     2.0000     1.0000     2.6458     2.6458     4.0000 
   H  12    1.7732     2.6200     1.4158     2.8292     3.1408     4.3433 
   H  13    3.5191     4.0130     5.0104     1.8396     2.2901     0.6200 
   H  14    4.0131     3.5192     4.8213     2.2901     1.8397     0.6201 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    2.0000     1.7320     1.7320     0.0000 
   C  11    1.0001     1.7321     1.7321     3.0000     0.0000 
   H  12    1.4158     1.8397     2.2901     3.3533     0.6200     0.0000 
   H  13    3.3532     2.8291     3.1407     1.4158     4.3433     4.6200 
   H  14    3.3533     3.1408     2.8292     1.4158     4.3434     4.7432 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    1.0739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0610710595
  Cl   2   -0.0610710595
   O   3   -0.2954995991
   N   4   -0.2022530948
   N   5   -0.2022530948
   N   6   -0.3274034684
   C   7    0.0878307176
   C   8    0.1459047126
   C   9    0.1459047126
   C  10    0.2152528052
   C  11    0.1560122297
   H  12    0.1083362533
   H  13    0.1451549724
   H  14    0.1451549724


BOND ANGLES
   8    4   10  Car  Nar  Car    119.999
   9    5   10  Car  Nar  Car    120.001
  10    6   13  Car  Npl   HC    120.001
  10    6   14  Car  Npl   HC    120.002
  13    6   14   HC  Npl   HC    119.997
   8    7    9  Car  Car  Car    120.001
   8    7   11  Car  Car   C2    119.998
   9    7   11  Car  Car   C2    120.001
   1    8    4   Cl  Car  Nar    120.001
   1    8    7   Cl  Car  Car    119.998
   4    8    7  Nar  Car  Car    120.001
   2    9    5   Cl  Car  Nar    120.001
   2    9    7   Cl  Car  Car    120.001
   5    9    7  Nar  Car  Car    119.999
   4   10    5  Nar  Car  Nar    120.001
   4   10    6  Nar  Car  Npl    119.999
   5   10    6  Nar  Car  Npl    120.001
   3   11    7   O2   C2  Car    119.998
   3   11   12   O2   C2   HC    120.002
   7   11   12  Car   C2   HC    120.000


TORSION ANGLES
  10    4    8    1    179.974
  10    4    8    7      0.026
   8    4   10    5      0.026
   8    4   10    6    179.974
  10    5    9    2    179.974
  10    5    9    7      0.026
   9    5   10    4      0.026
   9    5   10    6    179.974
  13    6   10    4      0.026
  13    6   10    5    179.974
  14    6   10    4    179.974
  14    6   10    5      0.026
   9    7    8    1    179.974
   9    7    8    4      0.026
  11    7    8    1      0.026
  11    7    8    4    179.974
   8    7    9    2    179.974
   8    7    9    5      0.026
  11    7    9    2      0.026
  11    7    9    5    179.974
   8    7   11    3    179.974
   8    7   11   12      0.026
   9    7   11    3      0.026
   9    7   11   12    179.974