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5-bromo-4-fluoro-2-hydroxybenzaldehyde
5-bromo-4-fluoro-2-hydroxybenzaldehyde
ID: BP-11735
CAS:399-00-8
Supplier:BroadPharm

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SMILES:c1(cc(c(cc1O)F)Br)C=O	
FORMULA: C7H4BrFO2
MASS: 219.0079
EXACT MASS: 217.9378696
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    1.0392     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   F   7    1.7979     1.5855     1.0375     0.5980     1.0374     1.5855 
  Br   8    1.5855     1.0374     0.5979     1.0374     1.5855     1.7979 
   O   9    1.0374     1.5855     1.7979     1.5855     1.0374     0.5979 
   C  10    0.5992     1.0403     1.5878     1.7992     1.5855     1.0368 
   O  11    0.0037     0.6037     1.0421     1.2013     1.0386     0.5976 

              F   7     Br   8      O   9      C  10      O  11
              -------------------------------------------------------
   F   7    0.0000 
  Br   8    1.1980     0.0000 
   O   9    2.0748     2.3958     0.0000 
   C  10    2.3971     2.0777     1.1955     0.0000 
   O  11    1.7993     1.5888     1.0339     0.5979     0.0000 



ATOMIC CHARGES
   C   1    0.0817178266
   C   2    0.0154481236
   C   3    0.0622802265
   C   4    0.1494522861
   C   5    0.0722424137
   C   6    0.2011176449
   F   7   -0.2035442317
  Br   8   -0.0466598328
   O   9   -0.2863845194
   C  10    0.2373637074
   O  11   -0.2830336449


BOND ANGLES
   6    1   10  Car  Car   C2    119.669
   2    1    6  Car  Car  Car    120.001
   2    1   10  Car  Car   C2    120.331
   1    2    3  Car  Car  Car    120.001
   4    3    8  Car  Car   Br    120.001
   2    3    4  Car  Car  Car    119.999
   2    3    8  Car  Car   Br    120.001
   3    4    5  Car  Car  Car    120.001
   3    4    7  Car  Car    F    120.008
   5    4    7  Car  Car    F    119.991
   4    5    6  Car  Car  Car    120.001
   1    6    5  Car  Car  Car    119.999
   5    6    9  Car  Car   O3    120.001
   1    6    9  Car  Car   O3    120.001
   1   10   11  Car   C2   O2      0.335


TORSION ANGLES
   8    3    4    5    179.974
   8    3    4    7      0.026
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    6      0.026
   7    4    5    6    179.974
   4    5    6    1      0.026
   4    5    6    9    179.974
   5    6    1   10    179.974
   5    6    1    2      0.026
   9    6    1   10      0.026
   9    6    1    2    179.974
   6    1   10   11      0.026
   2    1   10   11    179.974
   6    1    2    3      0.026
  10    1    2    3    179.974
   1    2    3    4      0.026
   1    2    3    8    179.974