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2,5-dichloropyrimidine
2,5-dichloropyrimidine ID: B187249
CAS:22536-67-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(ncc(cn1)Cl)Cl	
FORMULA: C4H2Cl2N2
MASS: 148.9781
EXACT MASS: 147.9595034
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7447     0.0000 
   N   3    0.7483     1.2958     0.0000 
   C   4    1.4959     1.3035     1.2931     0.0000 
   C   5    1.2978     1.5008     0.7500     0.7432     0.0000 
   C   6    1.2972     0.7542     1.4993     0.7555     1.3000     0.0000 
  Cl   7    0.7500     1.2935     1.2956     2.2458     1.9819     1.9831 
  Cl   8    2.2458     1.9872     1.9804     0.7500     1.2951     1.2998 

             Cl   7     Cl   8
              ----------------------
  Cl   7    0.0000 
  Cl   8    2.9958     0.0000 



ATOMIC CHARGES
   C   1    0.2239833741
   N   2   -0.2143007237
   N   3   -0.2143007237
   C   4    0.0959832403
   C   5    0.1143235568
   C   6    0.1143235568
  Cl   7   -0.0410201064
  Cl   8   -0.0789921743


BOND ANGLES
   2    1    3  Nar  Car  Nar    120.434
   2    1    7  Nar  Car   Cl    119.863
   3    1    7  Nar  Car   Cl    119.703
   1    2    6  Car  Nar  Car    119.863
   1    3    5  Car  Nar  Car    120.024
   5    4    8  Car  Car   Cl    120.301
   5    4    6  Car  Car  Car    120.307
   6    4    8  Car  Car   Cl    119.391
   3    5    4  Nar  Car  Car    119.981
   2    6    4  Nar  Car  Car    119.391


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