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3,6-Difluorophthalic anhydride
3,6-Difluorophthalic anhydride ID: AC-5964
CAS:652-40-4
Supplier:Hangzhou APIChem Technology Co., Limited

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SMILES:c1c(c2c(c(c1)F)C(=O)OC2=O)F	
FORMULA: C8H2F2O3
MASS: 184.0965
EXACT MASS: 183.9972004
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   C   3    1.4272     1.6525     0.0000 
   C   4    0.8228     1.4305     0.8241     0.0000 
   C   5    1.6520     1.4313     0.8305     1.4327     0.0000 
   C   6    1.4293     0.8240     1.4334     1.6517     0.8274     0.0000 
   C   7    2.2308     1.5076     2.1233     2.4673     1.3388     0.8274 
   O   8    2.7342     2.1512     2.1587     2.7366     1.3388     1.3387 
   C   9    2.4670     2.1187     1.5165     2.2349     0.8274     1.3387 
   F  10    2.1807     2.4775     0.8250     1.4283     1.4338     2.1877 
   F  11    1.4314     0.8250     2.4775     2.1836     2.1852     1.4284 
   O  12    2.6808     1.8626     2.8815     3.0969     2.1387     1.4723 
   O  13    3.0980     2.8781     1.8723     2.6864     1.4722     2.1386 

              C   7      O   8      C   9      F  10      F  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.8274     0.0000 
   C   9    1.3387     0.8274     0.0000 
   F  10    2.7694     2.5926     1.8034     0.0000 
   F  11    1.7916     2.5822     2.7631     3.3025     0.0000 
   O  12    0.8250     1.4724     2.1386     3.5723     1.7638     0.0000 
   O  13    2.1386     1.4723     0.8250     1.7793     3.5669     2.9081 

              O  13
              -----------
   O  13    0.0000 



ATOMIC CHARGES
   C   1    0.0321628524
   C   2    0.1466899452
   C   3    0.1466899452
   C   4    0.0321628524
   C   5    0.1119112913
   C   6    0.1119112913
   C   7    0.3504580828
   O   8   -0.3859103048
   C   9    0.3504580828
   F  10   -0.2039494223
   F  11   -0.2039494223
   O  12   -0.2443175971
   O  13   -0.2443175971


BOND ANGLES
   2    1    4  Car  Car  Car    120.188
   1    2   11  Car  Car    F    120.061
   1    2    6  Car  Car  Car    119.886
   6    2   11  Car  Car    F    120.053
   4    3    5  Car  Car  Car    119.963
   5    3   10  Car  Car    F    120.017
   4    3   10  Car  Car    F    120.020
   1    4    3  Car  Car  Car    120.132
   3    5    9  Car  Car   C2    132.339
   3    5    6  Car  Car  Car    119.671
   6    5    9  Car  Car   C2    107.990
   5    6    7  Car  Car   C2    108.007
   2    6    7  Car  Car   C2    131.833
   2    6    5  Car  Car  Car    120.160
   6    7    8  Car   C2   O3    107.997
   6    7   12  Car   C2   O2    126.000
   8    7   12   O3   C2   O2    126.003
   7    8    9   C2   O3   C2    107.994
   5    9    8  Car   C2   O3    108.012
   8    9   13   O3   C2   O2    125.997
   5    9   13  Car   C2   O2    125.991


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