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Products Information


ID: 1701407863
Supplier:Focus Synthesis LLC.

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SMILES:C(F)(F)COCCc1cc(Br)ccc1	
FORMULA: C10H11BrF2O
MASS: 265.0945
EXACT MASS: 263.9961334
INTERATOMIC DISTANCES

              C   1      C   2      C   3      F   4      F   5     Br   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    3.4238     0.0000 
   C   3    4.2247     0.8250     0.0000 
   F   4    0.8250     4.2265     5.0349     0.0000 
   F   5    0.8333     3.5351     4.3598     1.0017     0.0000 
  Br   6    4.5419     1.4280     0.8233     5.3665     4.8084     0.0000 
   C   7    3.3130     0.8140     1.4202     4.0564     3.2300     2.1716 
   O   8    1.3113     2.2730     3.0974     2.0278     1.2626     3.5614 
   C   9    4.7361     1.6461     1.4292     5.4720     4.6151     2.1826 
   C  10    0.8251     2.6336     3.4205     1.6501     1.3191     3.7172 
   C  11    4.8211     1.4301     0.8269     5.6069     4.8423     1.4292 
   C  12    4.0372     1.4250     1.6508     4.7381     3.8457     2.4741 
   C  13    2.6213     1.4181     2.1741     3.3150     2.4393     2.8461 
   C  14    2.0244     1.4493     2.2730     2.8021     2.0875     2.7523 
   H  15    0.8226     3.9021     4.6579     1.0002     1.5960     4.8491 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.0287     0.0000 
   C   9    1.4235     3.4454     0.0000 
   C  10    2.6162     0.8256     4.0324     0.0000 
   C  11    1.6458     3.6021     0.8275     4.0492     0.0000 
   C  12    0.8243     2.7285     0.8250     3.3897     1.4331     0.0000 
   C  13    0.8250     1.3101     2.1758     2.0253     2.4709     1.4235 
   C  14    1.3127     0.8250     2.7308     1.3036     2.8048     2.0957 
   H  15    3.9281     2.0293     5.3432     1.3119     5.3295     4.6976 

              C  13      C  14      H  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.8277     0.0000 
   H  15    3.3129     2.6154     0.0000 



ATOMIC CHARGES
   C   1    0.2737636380
   C   2    0.0025103902
   C   3    0.0342540760
   F   4   -0.2058906837
   F   5   -0.2058906837
  Br   6   -0.0490090405
   C   7   -0.0191750181
   O   8   -0.3480154528
   C   9    0.0001836715
   C  10    0.2042316454
   C  11    0.0066755979
   C  12   -0.0041549747
   C  13    0.0584119703
   C  14    0.1470563273
   H  15    0.1050485371


BOND ANGLES
   4    1    5    F   C3    F     74.318
   4    1   10    F   C3   C3    179.708
   4    1   15    F   C3   HC     74.756
   5    1   10    F   C3   C3    105.390
   5    1   15    F   C3   HC    149.074
  10    1   15   C3   C3   HC    105.536
   3    2    7  Car  Car  Car    120.105
   2    3    6  Car  Car   Br    120.069
   2    3   11  Car  Car  Car    119.923
   6    3   11   Br  Car  Car    120.009
   2    7   13  Car  Car   C3    119.814
   2    7   12  Car  Car  Car    120.867
  12    7   13  Car  Car   C3    119.319
  10    8   14   C3   O3   C3    104.319
  11    9   12  Car  Car  Car    120.274
   1   10    8   C3   C3   O3    105.187
   3   11    9  Car  Car  Car    119.511
   7   12    9  Car  Car  Car    119.319
   7   13   14  Car   C3   C3    105.167
   8   14   13   O3   C3   C3    104.876


TORSION ANGLES
   3    2    7   13    179.974
   3    2    7   12      0.026
   6    3    2    7    179.974
  11    3    2    7      0.026
   2    7   13   14      0.026
  12    7   13   14    179.974
  14    8   10    1    179.974
  11    9   12    7      0.026
   8   10    1    4      0.026
   8   10    1    5      0.026
   8   10    1   15    179.974
   3   11    9   12      0.026
   9   12    7    2      0.026
   9   12    7   13    179.974
   7   13   14    8    179.974
  13   14    8   10    179.974
   9   11    3    2      0.026
   9   11    3    6    179.974