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3-bromo-4-chlorobenzaldehyde
3-bromo-4-chlorobenzaldehyde ID: B187305
CAS:86265-88-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(ccc(c1)C=O)Cl)Br	
FORMULA: C7H4BrClO
MASS: 219.4631
EXACT MASS: 217.9134044
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7458     0.0000 
   C   3    0.7396     1.2894     0.0000 
   C   4    1.2822     0.7354     1.4875     0.0000 
   O   5    2.5708     2.6803     1.9670     2.2368     0.0000 
   C   6    1.2833     1.4843     0.7468     1.2864     1.2876     0.0000 
  Br   7    0.7391     1.2843     1.2792     1.9556     3.2320     1.9596 
   C   8    1.9612     2.2275     1.2875     1.9673     0.7406     0.7432 
  Cl   9    1.2885     0.7463     1.9673     1.2875     3.4116     2.2305 
   C  10    1.4843     1.2833     1.2935     0.7426     1.4942     0.7458 

             Br   7      C   8     Cl   9      C  10
              --------------------------------------------
  Br   7    0.0000 
   C   8    2.5667     0.0000 
  Cl   9    1.4792     2.9738     0.0000 
   C  10    2.2233     1.2915     1.9678     0.0000 



ATOMIC CHARGES
   C   1    0.0452138127
   C   2    0.0638524256
   C   3    0.0108294063
   C   4    0.0119950569
   O   5   -0.2831444767
   C   6    0.0427541681
  Br   7   -0.0481205671
   C   8    0.2341676828
  Cl   9   -0.0817310622
   C  10    0.0041835535


BOND ANGLES
   2    1    3  Car  Car  Car    120.466
   2    1    7  Car  Car   Br    119.746
   3    1    7  Car  Car   Br    119.789
   1    2    4  Car  Car  Car    119.908
   1    2    9  Car  Car   Cl    119.430
   4    2    9  Car  Car   Cl    120.662
   1    3    6  Car  Car  Car    119.392
   2    4   10  Car  Car  Car    120.503
   3    6    8  Car  Car   C2    119.556
   3    6   10  Car  Car  Car    120.143
   8    6   10   C2  Car  Car    120.301
   5    8    6   O2   C2  Car    120.392
   4   10    6  Car  Car  Car    119.589


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