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2,5-Dichloro-p-xylene
2,5-Dichloro-p-xylene ID: B184382
CAS:1124-05-6
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cc(c(cc1C)Cl)C)Cl	
FORMULA: C8H8Cl2
MASS: 175.0551
EXACT MASS: 174.0003056
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4875     0.0000 
   C   3    1.2915     0.7391     0.0000 
   C   4    0.7447     1.2900     1.4900     0.0000 
   C   5    1.2864     0.7468     1.2875     0.7417     0.0000 
   C   6    0.7411     1.2879     0.7500     1.2875     1.4859     0.0000 
  Cl   7    2.2333     0.7458     1.2885     1.9686     1.2894     1.9727 
  Cl   8    0.7417     2.2292     1.9699     1.2864     1.9634     1.2843 
   C   9    1.2917     1.9701     1.2956     1.9727     2.2342     0.7483 
   C  10    1.9614     1.2833     1.9588     1.2822     0.7375     2.2233 

             Cl   7     Cl   8      C   9      C  10
              --------------------------------------------
  Cl   7    0.0000 
  Cl   8    2.9750     0.0000 
   C   9    2.5841     1.4895     0.0000 
   C  10    1.4792     2.5686     2.9717     0.0000 



ATOMIC CHARGES
   C   1    0.0534415699
   C   2    0.0534415699
   C   3    0.0076536774
   C   4    0.0076536774
   C   5   -0.0104514531
   C   6   -0.0104514531
  Cl   7   -0.0825822149
  Cl   8   -0.0825822149
   C   9    0.0319384208
   C  10    0.0319384208


BOND ANGLES
   4    1    6  Car  Car  Car    120.116
   4    1    8  Car  Car   Cl    119.863
   6    1    8  Car  Car   Cl    120.021
   3    2    7  Car  Car   Cl    120.383
   3    2    5  Car  Car  Car    120.111
   5    2    7  Car  Car   Cl    119.505
   2    3    6  Car  Car  Car    119.746
   1    4    5  Car  Car  Car    119.863
   4    5   10  Car  Car   C3    120.184
   2    5    4  Car  Car  Car    120.143
   2    5   10  Car  Car   C3    119.673
   1    6    3  Car  Car  Car    120.021
   3    6    9  Car  Car   C3    119.703
   1    6    9  Car  Car   C3    120.276


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