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2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride ID: API-30401
CAS:86604-75-3
Supplier:APIchem

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SMILES:c1(c(c(c(cn1)C)OC)C)CCl.Cl	ChemMol.com
FORMULA: C9H13Cl2NO
MASS: 222.1116
EXACT MASS: 221.0374194
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   N   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   O   7    4.0295     2.6379     1.5230     2.6379     4.0295     4.5690 
   C   8    5.2758     4.0294     2.6379     3.0460     4.5689     5.4912 
   C   9    4.5690     4.0295     2.6379     1.5230     2.6379     4.0295 
   C  10    2.6379     1.5230     2.6379     4.0295     4.5690     4.0295 
   C  11    1.5230     2.6379     4.0294     4.5689     4.0295     2.6379 
  Cl  12    2.6379     4.0295     5.2758     5.4912     4.5690     3.0460 
  Cl  13    8.3218     7.0441     5.6839     5.8844     7.3660     8.4600 

              O   7      C   8      C   9      C  10      C  11     Cl  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.5230     0.0000 
   C   9    3.0460     2.6379     0.0000 
   C  10    3.0460     4.5689     5.2758     0.0000 
   C  11    5.2758     6.6385     6.0920     3.0460     0.0000 
  Cl  12    6.6386     7.9137     6.9793     4.5690     1.5230     0.0000 
  Cl  13    4.4308     3.0460     4.9266     7.3660     9.6707    10.9597 

             Cl  13
              -----------
  Cl  13    0.0000 



ATOMIC CHARGES
   C   1    0.0743241923
   C   2    0.0266045008
   C   3    0.1333279443
   C   4    0.0309001154
   C   5    0.0971707326
   N   6   -0.2473293500
   O   7   -0.4719753380
   C   8    0.2524376237
   C   9    0.0358392359
   C  10    0.0354838571
   C  11    0.1400485792
  Cl  12   -0.1068320933
  Cl  13    0.0000000000


BOND ANGLES
   2    1    6  Car  Car  Nar    119.999
   2    1   11  Car  Car   C3    120.000
   6    1   11  Nar  Car   C3    120.001
   1    2    3  Car  Car  Car    120.000
   1    2   10  Car  Car   C3    119.999
   3    2   10  Car  Car   C3    120.001
   2    3    4  Car  Car  Car    120.001
   2    3    7  Car  Car   O3    120.000
   4    3    7  Car  Car   O3    119.999
   3    4    5  Car  Car  Car    120.001
   3    4    9  Car  Car   C3    119.999
   5    4    9  Car  Car   C3    120.000
   4    5    6  Car  Car  Nar    120.000
   1    6    5  Car  Nar  Car    119.999
   3    7    8  Car   O3   C3    120.000
   1   11   12  Car   C3   Cl    120.000


TORSION ANGLES
   6    1    2    3      0.026
   6    1    2   10    179.974
  11    1    2    3    179.974
  11    1    2   10      0.026
   1    2    3    4      0.026
   1    2    3    7    179.974
  10    2    3    4    179.974
  10    2    3    7      0.026
   2    3    4    5      0.026
   2    3    4    9    179.974
   7    3    4    5    179.974
   7    3    4    9      0.026
   3    4    5    6      0.026
   9    4    5    6    179.974
   4    5    6    1      0.026
   2    1    6    5      0.026
  11    1    6    5    179.974
   2    3    7    8    179.974
   4    3    7    8      0.026
   2    1   11   12    179.974
   6    1   11   12      0.026