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2-(chloromethyl)-6-methylpyridine
2-(chloromethyl)-6-methylpyridine
ID: BP-11201
CAS:3099-29-4
Supplier:BroadPharm

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SMILES:n1c(CCl)cccc1C	
FORMULA: C7H8ClN
MASS: 141.5981
EXACT MASS: 141.0345269
INTERATOMIC DISTANCES

              N   1      C   2      C   3     Cl   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2507     0.0000 
   C   3    1.2471     2.1625     0.0000 
  Cl   4    3.3054     2.1625     4.3250     0.0000 
   C   5    2.5000     2.1654     2.1634     3.7484     0.0000 
   C   6    2.1708     1.2543     3.3096     1.2435     3.3109     0.0000 
   C   7    2.1634     2.4978     1.2500     4.5020     1.2471     3.7521 
   C   8    2.1654     1.2500     2.4978     2.4978     1.2507     2.1676 
   C   9    2.1667     3.3096     1.2543     5.4485     3.3083     4.3375 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    2.1625     0.0000 
   C   9    2.1676     3.7521     0.0000 



ATOMIC CHARGES
   N   1   -0.2527041357
   C   2    0.0749974241
   C   3    0.0590137572
  Cl   4   -0.1068223850
   C   5    0.0024579360
   C   6    0.1402611326
   C   7    0.0147269373
   C   8    0.0159927419
   C   9    0.0520765916


BOND ANGLES
   2    1    3  Car  Nar  Car    119.941
   1    2    6  Nar  Car   C3    120.131
   1    2    8  Nar  Car  Car    119.982
   6    2    8   C3  Car  Car    119.887
   1    3    7  Nar  Car  Car    120.077
   1    3    9  Nar  Car   C3    120.037
   7    3    9  Car  Car   C3    119.887
   7    5    8  Car  Car  Car    119.941
   2    6    4  Car   C3   Cl    119.940
   3    7    5  Car  Car  Car    120.077
   2    8    5  Car  Car  Car    119.982


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