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2-chloromethylpyridine
2-chloromethylpyridine ID: B187193
CAS:4377-33-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(CCl)cccc1	
FORMULA: C6H6ClN
MASS: 127.5715
EXACT MASS: 127.0188769
INTERATOMIC DISTANCES

              N   1      C   2     Cl   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7411     0.0000 
  Cl   3    1.9645     1.2875     0.0000 
   C   4    0.7447     1.2875     2.5750     0.0000 
   C   5    1.2875     0.7447     0.7411     1.9685     0.0000 
   C   6    1.2843     0.7417     1.4859     1.4859     1.2864     0.0000 
   C   7    1.2935     1.4900     2.6820     0.7500     2.2347     1.2875 
   C   8    1.4875     1.2879     2.2291     1.2900     1.9673     0.7432 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    0.7426     0.0000 



ATOMIC CHARGES
   N   1   -0.2468835496
   C   2    0.0754219456
  Cl   3   -0.1068222148
   C   4    0.0984917626
   C   5    0.1402742645
   C   6    0.0160165406
   C   7    0.0206581370
   C   8    0.0028431140


BOND ANGLES
   2    1    4  Car  Nar  Car    120.116
   1    2    5  Nar  Car   C3    120.116
   1    2    6  Nar  Car  Car    120.021
   5    2    6   C3  Car  Car    119.863
   1    4    7  Nar  Car  Car    119.863
   2    5    3  Car   C3   Cl    120.116
   2    6    8  Car  Car  Car    120.301
   4    7    8  Car  Car  Car    119.589
   6    8    7  Car  Car  Car    120.110


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