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2-Fluoro-5-bromoanisole
2-Fluoro-5-bromoanisole ID: API-28933
CAS:103291-07-2
Supplier:APIchem

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SMILES:COc1c(ccc(c1)Br)F	ChemMol.com
FORMULA: C7H6BrFO
MASS: 205.0243
EXACT MASS: 203.9586050
INTERATOMIC DISTANCES

              C   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    1.4001     0.0000 
   C   3    2.4249     1.4000     0.0000 
   C   4    2.8000     2.4249     1.4000     0.0000 
   C   5    4.2000     3.7040     2.4249     1.4000     0.0000 
   C   6    5.0478     4.2000     2.8000     2.4249     1.4001     0.0000 
   C   7    4.8498     3.7040     2.4249     2.8000     2.4249     1.4000 
   C   8    3.7040     2.4248     1.4000     2.4249     2.8000     2.4249 
  Br   9    6.1025     4.8497     3.7040     4.2000     3.7041     2.4249 
   F  10    2.4249     2.8000     2.4249     1.4000     2.4248     3.7040 

              C   7      C   8     Br   9      F  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.4001     0.0000 
  Br   9    1.4000     2.4249     0.0000 
   F  10    4.2000     3.7040     5.6000     0.0000 



ATOMIC CHARGES
   C   1    0.2525772894
   O   2   -0.4691426551
   C   3    0.1664506044
   C   4    0.1738445026
   C   5    0.0332811889
   C   6    0.0092056321
   C   7    0.0377275290
   C   8    0.0459201015
  Br   9   -0.0488948811
   F  10   -0.2009693117


BOND ANGLES
   1    2    3   C3   O3  Car    120.001
   2    3    4   O3  Car  Car    120.001
   2    3    8   O3  Car  Car    119.999
   4    3    8  Car  Car  Car    120.001
   3    4    5  Car  Car  Car    120.001
   3    4   10  Car  Car    F    120.001
   5    4   10  Car  Car    F    119.999
   4    5    6  Car  Car  Car    120.001
   5    6    7  Car  Car  Car    119.999
   6    7    8  Car  Car  Car    119.999
   6    7    9  Car  Car   Br    120.001
   8    7    9  Car  Car   Br    120.001
   3    8    7  Car  Car  Car    120.001


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