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3-bromo-5-chlorobenzaldehyde
3-bromo-5-chlorobenzaldehyde ID: CHB18510
CAS:188813-05-0
Supplier:ChemiK Co.,Ltd.

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SMILES:C(=O)c1cc(cc(c1)Cl)Br	
FORMULA: C7H4BrClO
MASS: 219.4631
EXACT MASS: 217.9134044
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8325     0.0000 
   C   3    1.4419     0.8325     0.0000 
   C   4    2.2026     1.4419     0.8325     0.0000 
   C   5    2.4975     1.6650     1.4420     0.8326     0.0000 
   C   6    2.2025     1.4419     1.6650     1.4419     0.8325     0.0000 
   C   7    1.4419     0.8324     1.4419     1.6650     1.4419     0.8325 
   O   8    0.8326     1.4420     1.6650     2.4975     3.0017     2.8838 
  Cl   9    2.8838     2.2026     2.4975     2.2026     1.4419     0.8326 
  Br  10    2.8839     2.2026     1.4420     0.8326     1.4420     2.2026 

              C   7      O   8     Cl   9     Br  10
              --------------------------------------------
   C   7    0.0000 
   O   8    2.2026     0.0000 
  Cl   9    1.4420     3.6288     0.0000 
  Br  10    2.4975     3.0017     2.8839     0.0000 



ATOMIC CHARGES
   C   1    0.2341938366
   C   2    0.0435397329
   C   3    0.0100355926
   C   4    0.0355075818
   C   5    0.0180895132
   C   6    0.0582639902
   C   7    0.0147114083
   O   8   -0.2831441188
  Cl   9   -0.0822271818
  Br  10   -0.0489703549


BOND ANGLES
   2    1    8  Car   C2   O2    120.002
   1    2    3   C2  Car  Car    119.996
   1    2    7   C2  Car  Car    119.999
   3    2    7  Car  Car  Car    120.005
   2    3    4  Car  Car  Car    119.996
   3    4    5  Car  Car  Car    120.002
   3    4   10  Car  Car   Br    120.002
   5    4   10  Car  Car   Br    119.996
   4    5    6  Car  Car  Car    119.993
   5    6    7  Car  Car  Car    120.005
   5    6    9  Car  Car   Cl    119.993
   7    6    9  Car  Car   Cl    120.002
   2    7    6  Car  Car  Car    119.999


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