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3,5-DICHLOROANILINE
3,5-DICHLOROANILINE
ID: BP-11691
CAS:626-43-7
Supplier:BroadPharm

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SMILES:Nc1cc(cc(c1)Cl)Cl	
FORMULA: C6H5Cl2N
MASS: 162.0166
EXACT MASS: 160.9799045
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    2.1650     1.2500     0.0000 
   C   4    3.3072     2.1650     1.2500     0.0000 
   C   5    3.7500     2.5000     2.1650     1.2500     0.0000 
   C   6    3.3072     2.1651     2.5000     2.1651     1.2501     0.0000 
   C   7    2.1651     1.2501     2.1651     2.5000     2.1651     1.2500 
  Cl   8    4.3301     3.3072     3.7500     3.3072     2.1651     1.2500 
  Cl   9    4.3301     3.3071     2.1650     1.2500     2.1650     3.3072 

              C   7     Cl   8     Cl   9
              ---------------------------------
   C   7    0.0000 
  Cl   8    2.1650     0.0000 
  Cl   9    3.7500     4.3301     0.0000 



ATOMIC CHARGES
   N   1   -0.1280019011
   C   2    0.0907737778
   C   3    0.0294974403
   C   4    0.0598543885
   C   5    0.0228705347
   C   6    0.0598543885
   C   7    0.0294974403
  Cl   8   -0.0821730345
  Cl   9   -0.0821730345


BOND ANGLES
   1    2    3  Npl  Car  Car    120.001
   1    2    7  Npl  Car  Car    119.998
   3    2    7  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    120.001
   3    4    5  Car  Car  Car    120.001
   3    4    9  Car  Car   Cl    120.001
   5    4    9  Car  Car   Cl    119.999
   4    5    6  Car  Car  Car    120.001
   5    6    7  Car  Car  Car    119.998
   5    6    8  Car  Car   Cl    120.001
   7    6    8  Car  Car   Cl    120.001
   2    7    6  Car  Car  Car    119.998


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