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2-Bromo-3,5-dimethoxy-1-fluorobenzene
2-Bromo-3,5-dimethoxy-1-fluorobenzene ID: API-9465
CAS:206860-47-1
Supplier:APIchem

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SMILES:Fc1c(c(cc(c1)OC)OC)Br	ChemMol.com
FORMULA: C8H8BrFO2
MASS: 235.0503
EXACT MASS: 233.9691697
INTERATOMIC DISTANCES

              F   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   C   2    0.8251     0.0000 
   C   3    1.4290     0.8250     0.0000 
   C   4    2.1829     1.4290     0.8250     0.0000 
   C   5    2.4752     1.6501     1.4290     0.8250     0.0000 
   C   6    2.1829     1.4290     1.6499     1.4289     0.8250     0.0000 
   C   7    1.4290     0.8249     1.4288     1.6500     1.4290     0.8251 
   O   8    2.8581     2.1828     2.4750     2.1828     1.4290     0.8251 
   C   9    2.9748     2.4751     2.9746     2.8579     2.1828     1.4290 
   O  10    2.8580     2.1828     1.4290     0.8250     1.4290     2.1827 
   C  11    3.5964     2.8581     2.1829     1.4291     1.6501     2.4751 
  Br  12    1.6500     1.4290     0.8251     1.4290     2.1828     2.4750 

              C   7      O   8      C   9      O  10      C  11     Br  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.4291     0.0000 
   C   9    1.6502     0.8250     0.0000 
   O  10    2.4750     2.8579     3.5961     0.0000 
   C  11    2.9747     2.9747     3.7808     0.8251     0.0000 
  Br  12    2.1827     3.3001     3.7807     1.6501     2.4752     0.0000 




ATOMIC CHARGES
   F   1   -0.2034411413
   C   2    0.1522320944
   C   3    0.0960166722
   C   4    0.1500490256
   C   5    0.0744089350
   C   6    0.1440408669
   C   7    0.0672179526
   O   8   -0.4712484617
   C   9    0.2524699338
   O  10   -0.4707520119
   C  11    0.2524938847
  Br  12   -0.0434877502


BOND ANGLES
   1    2    3    F  Car  Car    120.002
   1    2    7    F  Car  Car    120.005
   3    2    7  Car  Car  Car    119.993
   2    3    4  Car  Car  Car    120.008
   2    3   12  Car  Car   Br    119.993
   4    3   12  Car  Car   Br    119.999
   3    4    5  Car  Car  Car    119.999
   3    4   10  Car  Car   O3    120.002
   5    4   10  Car  Car   O3    119.999
   4    5    6  Car  Car  Car    119.993
   5    6    7  Car  Car  Car    120.002
   5    6    8  Car  Car   O3    119.993
   7    6    8  Car  Car   O3    120.005
   2    7    6  Car  Car  Car    120.005
   6    8    9  Car   O3   C3    119.999
   4   10   11  Car   O3   C3    120.005


TORSION ANGLES
   1    2    3    4    179.974
   1    2    3   12      0.026
   7    2    3    4      0.026
   7    2    3   12    179.974
   2    3    4    5      0.026
   2    3    4   10    179.974
  12    3    4    5    179.974
  12    3    4   10      0.026
   3    4    5    6      0.026
  10    4    5    6    179.974
   4    5    6    7      0.026
   4    5    6    8    179.974
   5    6    7    2      0.026
   8    6    7    2    179.974
   6    7    2    1    179.974
   6    7    2    3      0.026
   5    6    8    9    179.974
   7    6    8    9      0.026
   3    4   10   11    179.974
   5    4   10   11      0.026


COMMENTS