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2-Amino-4-fluorobenzonitrile
2-Amino-4-fluorobenzonitrile ID: API-31248
CAS:80517-22-2
Supplier:APIchem

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SMILES:N#Cc1c(cc(cc1)F)N	ChemMol.com
FORMULA: C7H5FN2
MASS: 136.1264
EXACT MASS: 136.0436764
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.6501     0.8251     0.0000 
   C   4    2.1829     1.4290     0.8250     0.0000 
   C   5    2.9747     2.1829     1.4290     0.8250     0.0000 
   C   6    3.3002     2.4752     1.6501     1.4290     0.8250     0.0000 
   C   7    2.9747     2.1829     1.4290     1.6499     1.4289     0.8250 
   C   8    2.1828     1.4290     0.8249     1.4288     1.6500     1.4290 
   F   9    4.1253     3.3003     2.4752     2.1828     1.4290     0.8251 
   N  10    2.1828     1.6500     1.4290     0.8251     1.4290     2.1828 

              C   7      C   8      F   9      N  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.8251     0.0000 
   F   9    1.4291     2.1830     0.0000 
   N  10    2.4750     2.1827     2.8580     0.0000 



ATOMIC CHARGES
   N   1   -0.1907876514
   C   2    0.1017800282
   C   3    0.0852732414
   C   4    0.1008882677
   C   5    0.0483618575
   C   6    0.1415298030
   C   7    0.0304138603
   C   8    0.0139461769
   F   9   -0.2041262384
   N  10   -0.1272793452


BOND ANGLES
   1    2    3   N1   C1  Car    179.974
   2    3    4   C1  Car  Car    120.002
   2    3    8   C1  Car  Car    120.005
   4    3    8  Car  Car  Car    119.993
   3    4    5  Car  Car  Car    120.008
   3    4   10  Car  Car  Npl    119.993
   5    4   10  Car  Car  Npl    119.999
   4    5    6  Car  Car  Car    119.999
   5    6    7  Car  Car  Car    119.993
   5    6    9  Car  Car    F    119.996
   7    6    9  Car  Car    F    120.012
   6    7    8  Car  Car  Car    120.002
   3    8    7  Car  Car  Car    120.005


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


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