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4,6-dichloropyrimidine-5-carbaldehyde
4,6-dichloropyrimidine-5-carbaldehyde ID: B187227
CAS:5305-40-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(ncnc1Cl)Cl)C=O	
FORMULA: C5H2Cl2N2O
MASS: 176.9882
EXACT MASS: 175.9544181
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7500     0.0000 
   C   3    0.7463     1.2921     0.0000 
   N   4    1.2993     0.7504     1.4917     0.0000 
   N   5    1.2958     1.4972     0.7426     1.2972     0.0000 
   C   6    1.4972     1.2958     1.2900     0.7468     0.7500     0.0000 
   C   7    0.7391     1.2879     1.2917     1.9732     1.9719     2.2363 
   O   8    1.2906     1.9741     1.5024     2.5899     2.2450     2.6966 
  Cl   9    1.2951     0.7432     1.9732     1.2917     2.2404     1.9735 
  Cl  10    1.2885     1.9727     0.7458     2.2375     1.2864     1.9713 

              C   7      O   8     Cl   9     Cl  10
              --------------------------------------------
   C   7    0.0000 
   O   8    0.7459     0.0000 
  Cl   9    1.4917     2.2375     0.0000 
  Cl  10    1.4915     1.3042     2.5836     0.0000 



ATOMIC CHARGES
   C   1    0.0990955965
   C   2    0.1455324948
   C   3    0.1455324948
   N   4   -0.2121940702
   N   5   -0.2121940702
   C   6    0.2004668227
   C   7    0.2389177880
   O   8   -0.2829780945
  Cl   9   -0.0610894810
  Cl  10   -0.0610894810


BOND ANGLES
   2    1    3  Car  Car  Car    119.430
   2    1    7  Car  Car   C2    119.746
   3    1    7  Car  Car   C2    120.824
   1    2    4  Car  Car  Nar    119.982
   1    2    9  Car  Car   Cl    120.301
   4    2    9  Nar  Car   Cl    119.717
   1    3    5  Car  Car  Nar    120.981
   1    3   10  Car  Car   Cl    119.430
   5    3   10  Nar  Car   Cl    119.589
   2    4    6  Car  Nar  Car    119.876
   3    5    6  Car  Nar  Car    119.589
   4    6    5  Nar  Car  Nar    120.143
   1    7    8  Car   C2   O2    120.706


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