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(3,4-difluorophenyl)amine

(3,4-difluorophenyl)amine ID: BBC/407
CAS:3863-11-4
Supplier:Aronis

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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    1.3333     0.0000 
   C   3    1.3308     2.3055     0.0000 
   C   4    2.3000     2.6585     1.3235     0.0000 
   C   5    2.3055     1.3308     2.6583     2.3013     0.0000 
   F   6    1.3272     2.3034     2.3042     3.5130     3.5179     0.0000 
   F   7    2.3055     3.5235     1.3333     2.3013     3.9916     2.6621 
   N   8    3.5224     2.3061     3.9875     3.5142     1.3292     4.6095 
   C   9    2.6585     2.3000     2.3013     1.3333     1.3235     3.9857 

              F   7      N   8      C   9
              ---------------------------------
   F   7    0.0000 
   N   8    5.3208     0.0000 
   C   9    3.5208     2.2936     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    119.855
   2    1    6  Car  Car    F    119.946
   3    1    6  Car  Car    F    120.199
   1    2    5  Car  Car  Car    119.855
   1    3    4  Car  Car  Car    120.108
   1    3    7  Car  Car    F    119.855
   4    3    7  Car  Car    F    120.036
   3    4    9  Car  Car  Car    120.036
   2    5    8  Car  Car  Npl    120.213
   2    5    9  Car  Car  Car    120.108
   8    5    9  Npl  Car  Car    119.679
   4    9    5  Car  Car  Car    120.036


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