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methyl 4-fluoro-3-hydrazinylbenzoate
methyl 4-fluoro-3-hydrazinylbenzoate
ID: BP-11679
Supplier:BroadPharm

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SMILES:c1(cc(C(=O)OC)ccc1F)NN	
FORMULA: C8H9FN2O2
MASS: 184.1677
EXACT MASS: 184.0648058
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5869     0.0000 
   C   3    1.0375     0.6010     0.0000 
   C   4    0.6010     1.0375     0.5975     0.0000 
   C   5    0.6000     1.7995     1.1985     1.0398     0.0000 
   O   6    1.7995     0.6000     1.0398     1.1985     2.1629     0.0000 
   C   7    1.1985     1.0398     0.6000     1.0378     1.0375     1.5878 
   N   8    0.5975     2.0750     1.5829     1.0375     1.0378     2.1600 
   C   9    1.0398     1.5863     1.0378     1.2000     0.6010     2.0776 
   O  10    2.0750     0.5975     1.0375     1.5829     2.1600     1.0378 
   F  11    1.0378     2.3970     1.7960     1.5863     0.5975     2.7469 
   N  12    1.0375     2.6131     2.0750     1.5869     1.1985     2.7474 
   C  13    2.6089     1.0333     1.5828     2.0708     2.7434     1.1949 

              C   7      N   8      C   9      O  10      F  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.7960     0.0000 
   C   9    0.5975     1.5863     0.0000 
   O  10    1.1985     2.6090     1.7960     0.0000 
   F  11    1.5829     1.2000     1.0375     2.7435     0.0000 
   N  12    2.1600     0.6010     1.7995     3.1125     1.0398     0.0000 
   C  13    1.7959     3.1083     2.3934     0.5974     3.3319     3.6415 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.1143161196
   C   2    0.3413662146
   C   3    0.0771237464
   C   4    0.0265316720
   C   5    0.1564947093
   O   6   -0.2448919920
   C   7    0.0088305541
   N   8   -0.1272785517
   C   9    0.0312348174
   O  10   -0.4413268329
   F  11   -0.2027563211
   N  12    0.0044052965
   C  13    0.2559505679


BOND ANGLES
   4    1    5  Car  Car  Car    119.944
   4    1    8  Car  Car  Npl    119.917
   5    1    8  Car  Car  Npl    120.140
   3    2    6  Car   C2   O2    119.944
   3    2   10  Car   C2   O3    119.917
   6    2   10   O2   C2   O3    120.140
   2    3    4   C2  Car  Car    119.917
   2    3    7   C2  Car  Car    119.944
   4    3    7  Car  Car  Car    120.140
   1    4    3  Car  Car  Car    119.917
   1    5    9  Car  Car  Car    119.944
   1    5   11  Car  Car    F    120.140
   9    5   11  Car  Car    F    119.917
   3    7    9  Car  Car  Car    120.140
   1    8   12  Car  Npl   N3    119.917
   5    9    7  Car  Car  Car    119.917
   2   10   13   C2   O3   C3    119.716


TORSION ANGLES
   6    2    3    4      0.026
   6    2    3    7    179.974
  10    2    3    4    179.974
  10    2    3    7      0.026
   2    3    4    1    179.974
   7    3    4    1      0.026
   3    4    1    5      0.026
   3    4    1    8    179.974
   9    5    1    4      0.026
   9    5    1    8    179.974
  11    5    1    4    179.974
  11    5    1    8      0.026
   3    7    9    5      0.026
  12    8    1    4    179.974
  12    8    1    5      0.026
   7    9    5    1      0.026
   7    9    5   11    179.974
  13   10    2    3    179.974
  13   10    2    6      0.026
   2    3    7    9    179.974
   4    3    7    9      0.026