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5,6-Difluoroindole
5,6-Difluoroindole ID: CHH14026
CAS:169674-01-5
Supplier:ChemiK Co.,Ltd.

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SMILES:[nH]1ccc2cc(c(cc12)F)F	
FORMULA: C8H5F2N
MASS: 153.1288
EXACT MASS: 153.0390056
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8937     0.0000 
   C   3    1.4461     0.8938     0.0000 
   C   4    1.4461     1.4461     0.8937     0.0000 
   C   5    2.2916     2.3277     1.6329     0.8938     0.0000 
   C   6    2.6682     2.9573     2.4139     1.5480     0.8938     0.0000 
   C   7    2.4138     2.9573     2.6682     1.7875     1.5481     0.8938 
   C   8    1.6329     2.3277     2.2916     1.5480     1.7875     1.5480 
   C   9    0.8937     1.4461     1.4462     0.8938     1.5481     1.7875 
   F  10    3.1766     3.8038     3.5603     2.6812     2.3646     1.5480 
   F  11    3.5603     3.8038     3.1766     2.3646     1.5480     0.8938 

              C   7      C   8      C   9      F  10      F  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8937     0.0000 
   C   9    1.5480     0.8937     0.0000 
   F  10    0.8937     1.5480     2.3646     0.0000 
   F  11    1.5481     2.3646     2.6813     1.7875     0.0000 



ATOMIC CHARGES
   N   1   -0.2437614959
   C   2    0.0988766932
   C   3    0.0221989138
   C   4    0.0215758164
   C   5    0.0335094984
   C   6    0.1674816833
   C   7    0.1688821131
   C   8    0.0510426696
   C   9    0.0837385953
   F  10   -0.2017469837
   F  11   -0.2017975034


BOND ANGLES
   2    1    9  Car  Nar  Car    108.005
   1    2    3  Nar  Car  Car    108.003
   2    3    4  Car  Car  Car    107.996
   3    4    5  Car  Car  Car    131.997
   3    4    9  Car  Car  Car    108.001
   5    4    9  Car  Car  Car    120.002
   4    5    6  Car  Car  Car    119.997
   5    6    7  Car  Car  Car    120.002
   5    6   11  Car  Car    F    119.997
   7    6   11  Car  Car    F    120.002
   6    7    8  Car  Car  Car    119.996
   6    7   10  Car  Car    F    119.996
   8    7   10  Car  Car    F    120.008
   7    8    9  Car  Car  Car    120.008
   1    9    8  Nar  Car  Car    132.009
   4    9    8  Car  Car  Car    119.996
   1    9    4  Nar  Car  Car    107.995


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