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2-CHLORO-3-CYANO-6-METHYLPYRIDINE
2-CHLORO-3-CYANO-6-METHYLPYRIDINE
ID: BP-12075
CAS:28900-10-9
Supplier:BroadPharm

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SMILES:c1(c(C#N)ccc(n1)C)Cl	
FORMULA: C7H5ClN2
MASS: 152.5810
EXACT MASS: 152.0141258
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4375     0.0000 
   N   3    1.4342     2.4915     0.0000 
   C   4    2.4864     1.4337     3.7995     0.0000 
   N   5    3.7760     2.8451     5.1537     1.4114     0.0000 
   C   6    2.4843     1.4301     2.8792     2.4792     3.7672     0.0000 
   C   7    2.4833     2.8694     1.4414     4.3030     5.7144     2.4885 
  Cl   8    1.4379     2.4936     2.4792     2.8792     3.7895     3.7995 
   C   9    2.8694     2.4833     2.4957     3.7933     5.1470     1.4372 
   C  10    3.7908     4.3036     2.4833     5.7373     7.1487     3.8022 

              C   7     Cl   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
  Cl   8    3.7949     0.0000 
   C   9    1.4375     4.3072     0.0000 
   C  10    1.4342     4.9625     2.4915     0.0000 



ATOMIC CHARGES
   C   1    0.1474399134
   C   2    0.0968191632
   N   3   -0.2375656558
   C   4    0.1028189110
   N   5   -0.1907537845
   C   6    0.0138910966
   C   7    0.0603632000
  Cl   8   -0.0606325666
   C   9    0.0154972495
   C  10    0.0521224732


BOND ANGLES
   2    1    3  Car  Car  Nar    120.364
   2    1    8  Car  Car   Cl    120.280
   3    1    8  Nar  Car   Cl    119.356
   1    2    4  Car  Car   C1    119.993
   1    2    6  Car  Car  Car    120.077
   4    2    6   C1  Car  Car    119.929
   1    3    7  Car  Nar  Car    119.438
   2    4    5  Car   C1   N1    179.871
   2    6    9  Car  Car  Car    120.011
   3    7    9  Nar  Car  Car    120.197
   3    7   10  Nar  Car   C3    119.438
   9    7   10  Car  Car   C3    120.364
   6    9    7  Car  Car  Car    119.912


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