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2-chloro-4-methylpyrimidine
2-chloro-4-methylpyrimidine ID: B187250
CAS:13036-57-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(nc(ccn1)C)Cl	
FORMULA: C5H5ClN2
MASS: 128.5596
EXACT MASS: 128.0141258
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4     Cl   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7411     0.0000 
   N   3    0.7483     1.2917     0.0000 
   C   4    1.2956     0.7500     1.5008     0.0000 
  Cl   5    0.7500     1.2915     1.2956     1.9805     0.0000 
   C   6    1.2993     1.4958     0.7542     1.3000     1.9845     0.0000 
   C   7    1.4958     1.2931     1.3014     0.7468     2.2458     0.7520 
   C   8    1.9755     1.2963     2.2471     0.7463     2.5877     1.9834 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.2958     0.0000 



ATOMIC CHARGES
   C   1    0.2235901157
   N   2   -0.2211006188
   N   3   -0.2152113882
   C   4    0.0633982015
  Cl   5   -0.0410303368
   C   6    0.1026398555
   C   7    0.0354868182
   C   8    0.0522273529


BOND ANGLES
   2    1    3  Nar  Car  Nar    120.276
   2    1    5  Nar  Car   Cl    120.021
   3    1    5  Nar  Car   Cl    119.703
   1    2    4  Car  Nar  Car    120.655
   1    3    6  Car  Nar  Car    119.703
   2    4    8  Nar  Car   C3    120.064
   2    4    7  Nar  Car  Car    119.509
   7    4    8  Car  Car   C3    120.428
   3    6    7  Nar  Car  Car    119.545
   4    7    6  Car  Car  Car    120.313


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