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2,4-dichloropyrimidine
2,4-dichloropyrimidine
ID: BP-12063
CAS:3934-20-1
Supplier:BroadPharm

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SMILES:n1c(nccc1Cl)Cl	
FORMULA: C4H2Cl2N2
MASS: 148.9781
EXACT MASS: 147.9595034
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5     Cl   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.5975     1.0378     0.0000 
   N   4    1.0378     0.5975     1.2000     0.0000 
   C   5    1.0375     1.1985     0.6010     1.0398     0.0000 
  Cl   6    1.0398     0.6010     1.5863     1.0375     1.7995     0.0000 
   C   7    1.1985     1.0375     1.0398     0.6010     0.6000     1.5869 
  Cl   8    1.0414     1.5905     0.6042     1.8042     1.0435     2.0812 

              C   7     Cl   8
              ----------------------
   C   7    0.0000 
  Cl   8    1.5918     0.0000 



ATOMIC CHARGES
   N   1   -0.2051244684
   C   2    0.2246828024
   C   3    0.1423730827
   N   4   -0.2151425944
   C   5    0.0515337798
  Cl   6   -0.0409969486
   C   7    0.1038732107
  Cl   8   -0.0611988643


BOND ANGLES
   2    1    3  Car  Nar  Car    120.140
   1    2    4  Nar  Car  Nar    120.140
   1    2    6  Nar  Car   Cl    119.944
   4    2    6  Nar  Car   Cl    119.917
   1    3    5  Nar  Car  Car    119.917
   1    3    8  Nar  Car   Cl    120.140
   5    3    8  Car  Car   Cl    119.944
   2    4    7  Car  Nar  Car    119.917
   3    5    7  Car  Car  Car    119.944
   4    7    5  Nar  Car  Car    119.944


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