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2-chloro-6-methoxypyridine-4-carbonyl chloride
2-chloro-6-methoxypyridine-4-carbonyl chloride ID: B187295
CAS:116853-97-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(cc(C(=O)Cl)cc1OC)Cl	
FORMULA: C7H5Cl2NO2
MASS: 206.0261
EXACT MASS: 204.9697338
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.9975     0.0000 
   C   3    3.0017     1.0041     0.0000 
   C   4    1.0000     1.7292     2.6476     0.0000 
   C   5    0.9928     1.7252     2.6431     1.7231     0.0000 
   C   6    1.7303     1.0006     1.7375     0.9969     1.9917     0.0000 
   C   7    1.7292     1.0000     1.7344     1.9975     0.9965     1.7324 
   O   8    3.6069     1.7344     1.0000     3.0017     3.4596     2.0047 
  Cl   9    3.6040     1.7333     0.9969     3.4625     2.9975     2.6476 
  Cl  10    1.7344     2.6476     3.4708     1.0041     2.6403     1.7333 
   O  11    1.7231     2.6381     3.4596     2.6368     1.0000     2.9917 
   C  12    2.0000     3.4627     4.3600     3.0000     1.7375     3.6047 

              C   7      O   8     Cl   9     Cl  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.6473     0.0000 
  Cl   9    2.0011     1.7303     0.0000 
  Cl  10    3.0017     3.6120     4.3621     0.0000 
   O  11    1.7252     4.3535     3.6012     3.4575     0.0000 
   C  12    2.6439     5.1971     4.5814     3.6067     1.0011     0.0000 




ATOMIC CHARGES
   N   1   -0.2000726493
   C   2    0.0572026154
   C   3    0.2537814616
   C   4    0.1415623759
   C   5    0.2258603987
   C   6    0.0350956281
   C   7    0.0618479239
   O   8   -0.2739372353
  Cl   9   -0.0382419924
  Cl  10   -0.0612263203
   O  11   -0.4561046679
   C  12    0.2542324616


BOND ANGLES
   4    1    5  Car  Nar  Car    119.687
   3    2    7   C2  Car  Car    119.864
   6    2    7  Car  Car  Car    119.981
   3    2    6   C2  Car  Car    120.156
   2    3    8  Car   C2   O2    119.864
   2    3    9  Car   C2   Cl    120.035
   8    3    9   O2   C2   Cl    120.101
   1    4    6  Nar  Car  Car    120.101
   1    4   10  Nar  Car   Cl    119.864
   6    4   10  Car  Car   Cl    120.035
   1    5    7  Nar  Car  Car    120.746
   1    5   11  Nar  Car   O3    119.687
   7    5   11  Car  Car   O3    119.567
   2    6    4  Car  Car  Car    119.918
   2    7    5  Car  Car  Car    119.567
   5   11   12  Car   O3   C3    120.512


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