Sign In Join Free

Products Information

2,3-dichloro-6-methylpyridine
2,3-dichloro-6-methylpyridine
ID: Cs00374
CAS:54957-86-7
Supplier:Clousem

Get a quote


SMILES:c1c(nc(c(c1)Cl)Cl)C	
FORMULA: C6H5Cl2N
MASS: 162.0166
EXACT MASS: 160.9799045
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   N   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 
   C   6    1.5230     2.6380     3.0461     2.6380     1.5231     0.0000 
  Cl   7    4.5690     4.0295     2.6380     1.5230     2.6379     4.0296 
  Cl   8    4.0295     4.5691     4.0296     2.6380     1.5231     2.6380 
   C   9    2.6379     1.5230     2.6379     4.0295     4.5690     4.0295 

             Cl   7     Cl   8      C   9
              ---------------------------------
  Cl   7    0.0000 
  Cl   8    3.0461     0.0000 
   C   9    5.2759     6.0921     0.0000 



ATOMIC CHARGES
   C   1    0.0156742999
   C   2    0.0603776301
   N   3   -0.2373902731
   C   4    0.1483703578
   C   5    0.0860523966
   C   6    0.0150060496
  Cl   7   -0.0604484417
  Cl   8   -0.0797646992
   C   9    0.0521226801


BOND ANGLES
   2    1    6  Car  Car  Car    120.004
   1    2    3  Car  Car  Nar    120.001
   1    2    9  Car  Car   C3    119.999
   3    2    9  Nar  Car   C3    120.000
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    119.999
   3    4    7  Nar  Car   Cl    120.002
   5    4    7  Car  Car   Cl    119.999
   4    5    6  Car  Car  Car    120.002
   4    5    8  Car  Car   Cl    120.002
   6    5    8  Car  Car   Cl    119.995
   1    6    5  Car  Car  Car    119.993


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