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4-CHLORO-3-FLUOROANISOLE
4-CHLORO-3-FLUOROANISOLE
ID: BP-11135
CAS:501-29-1
Supplier:BroadPharm

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SMILES:c1(cc(ccc1Cl)OC)F	
FORMULA: C7H6ClFO
MASS: 160.5733
EXACT MASS: 160.0091207
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      F   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4292     0.0000 
   C   3    1.4243     2.4714     0.0000 
   C   4    2.4833     2.8652     1.4388     0.0000 
   C   5    2.4786     1.4285     2.8625     2.4870     0.0000 
   F   6    1.4316     2.4756     2.4750     3.7925     3.7841     0.0000 
  Cl   7    2.4786     3.7857     1.4375     2.4870     4.3000     2.8622 
   C   8    2.8652     2.4833     2.4798     1.4292     1.4429     4.2968 
   O   9    3.7936     2.4858     4.3000     3.7990     1.4375     4.9614 
   C  10    4.0683     2.6399     4.9651     4.8245     2.3420     4.9108 

             Cl   7      C   8      O   9      C  10
              --------------------------------------------
  Cl   7    0.0000 
   C   8    3.7912     0.0000 
   O   9    5.7375     2.4941     0.0000 
   C  10    6.3607     3.7006     1.4286     0.0000 



ATOMIC CHARGES
   C   1    0.1536157060
   C   2    0.0673726895
   C   3    0.0852449366
   C   4    0.0167774397
   C   5    0.1410341844
   F   6   -0.2031750811
  Cl   7   -0.0798994329
   C   8    0.0379135072
   O   9   -0.4713519148
   C  10    0.2524679655


BOND ANGLES
   2    1    3  Car  Car  Car    120.016
   2    1    6  Car  Car    F    119.848
   3    1    6  Car  Car    F    120.137
   1    2    5  Car  Car  Car    120.304
   1    3    4  Car  Car  Car    120.301
   1    3    7  Car  Car   Cl    120.016
   4    3    7  Car  Car   Cl    119.683
   3    4    8  Car  Car  Car    119.683
   2    5    9  Car  Car   O3    120.304
   2    5    8  Car  Car  Car    119.726
   8    5    9  Car  Car   O3    119.969
   4    8    5  Car  Car  Car    119.969
   5    9   10  Car   O3   C3    109.599


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