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5-(chloromethyl)-2-methylpyrimidine
5-(chloromethyl)-2-methylpyrimidine ID: B187239
CAS:126504-86-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(ncc(c1)CCl)C	
FORMULA: C6H7ClN2
MASS: 142.5862
EXACT MASS: 142.0297759
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2921     0.0000 
   C   3    0.7500     0.7463     0.0000 
   C   4    1.2875     1.2859     1.4900     0.0000 
   C   5    0.7483     1.4875     1.2956     0.7375     0.0000 
   C   6    1.4859     0.7396     1.2875     0.7417     1.2822     0.0000 
  Cl   7    2.2342     2.5743     2.6875     1.2885     1.4859     1.9648 
   C   8    1.9727     1.9673     2.2383     0.7483     1.2875     1.2885 
   C   9    1.2931     1.2875     0.7396     2.2296     1.9736     1.9628 

             Cl   7      C   8      C   9
              ---------------------------------
  Cl   7    0.0000 
   C   8    0.7417     0.0000 
   C   9    3.4113     2.9779     0.0000 



ATOMIC CHARGES
   N   1   -0.2294383693
   N   2   -0.2294383693
   C   3    0.1395956374
   C   4    0.0324316296
   C   5    0.0987132344
   C   6    0.0987132344
  Cl   7   -0.1084251893
   C   8    0.1241978608
   C   9    0.0736503313


BOND ANGLES
   3    1    5  Car  Nar  Car    119.703
   3    2    6  Car  Nar  Car    120.105
   1    3    2  Nar  Car  Nar    119.430
   2    3    9  Nar  Car   C3    120.105
   1    3    9  Nar  Car   C3    120.466
   5    4    6  Car  Car  Car    120.184
   5    4    8  Car  Car   C3    120.113
   6    4    8  Car  Car   C3    119.703
   1    5    4  Nar  Car  Car    120.113
   2    6    4  Nar  Car  Car    120.466
   4    8    7  Car   C3   Cl    119.703


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