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Products Information

3,4-Difluoroaniline
3,4-Difluoroaniline ID: B187299
CAS:3863-11-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cc(N)ccc1F)F	
FORMULA: C6H5F2N
MASS: 129.1074
EXACT MASS: 129.0390056
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      F   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7500     0.0000 
   C   3    0.7411     1.2915     0.0000 
   C   4    1.2875     1.4900     0.7447     0.0000 
   C   5    1.2879     0.7391     1.4875     1.2900     0.0000 
   F   6    0.7504     1.2993     1.2917     1.9735     1.9732     0.0000 
   F   7    1.2843     1.9699     0.7417     1.2864     2.2292     1.4874 
   N   8    1.9699     1.2843     2.2333     1.9713     0.7458     2.5836 
   C   9    1.4900     1.2875     1.2935     0.7500     0.7426     2.2404 

              F   7      N   8      C   9
              ---------------------------------
   F   7    0.0000 
   N   8    2.9750     0.0000 
   C   9    1.9713     1.2864     0.0000 



ATOMIC CHARGES
   C   1    0.1687268257
   C   2    0.0500028296
   C   3    0.1674693309
   C   4    0.0333481095
   C   5    0.0914762584
   F   6   -0.2017534165
   F   7   -0.2017976809
   N   8   -0.1279810202
   C   9    0.0205087635


BOND ANGLES
   2    1    3  Car  Car  Car    120.021
   2    1    6  Car  Car    F    119.982
   3    1    6  Car  Car    F    119.997
   1    2    5  Car  Car  Car    119.746
   1    3    4  Car  Car  Car    120.116
   1    3    7  Car  Car    F    120.021
   4    3    7  Car  Car    F    119.863
   3    4    9  Car  Car  Car    119.863
   2    5    8  Car  Car  Npl    119.746
   2    5    9  Car  Car  Car    120.665
   8    5    9  Npl  Car  Car    119.589
   4    9    5  Car  Car  Car    119.589


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
   9    4    3    1      0.026
   9    4    3    7    179.974
   8    5    2    1    179.974
   9    5    2    1      0.026
   5    9    4    3      0.026
   4    9    5    2      0.026
   4    9    5    8    179.974