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ethyl chloro[(4-fluorophenyl)hydrazono]acetate
ethyl chloro[(4-fluorophenyl)hydrazono]acetate
ID: BP-12173
Supplier:BroadPharm

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SMILES:C(=N\Nc1ccc(F)cc1)(/C(=O)OCC)\Cl	
FORMULA: C10H10ClFN2O2
MASS: 244.6500
EXACT MASS: 244.0414835
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      O   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6010     0.0000 
   C   3    0.6010     1.0416     0.0000 
   N   4    1.0375     0.5975     1.5869     0.0000 
   O   5    1.0362     1.2000     0.5958     1.7974     0.0000 
  Cl   6    0.6000     1.0398     1.0398     1.1985     1.5839     0.0000 
   C   7    1.5869     1.0375     2.0791     0.6010     2.1628     1.7995 
   O   8    1.0417     1.5910     0.6011     2.0792     1.0362     1.2021 
   C   9    2.7474     2.1600     3.1738     1.7995     3.1166     2.9980 
   F  10    3.3382     2.7461     3.7462     2.3985     3.6499     3.5970 
   C  11    1.7995     1.1985     2.1639     1.0398     2.0791     2.1629 
   C  12    2.0792     1.5870     2.6173     1.0417     2.7500     2.1640 
   C  13    2.4006     1.7996     2.7514     1.5891     2.6177     2.7501 
   C  14    2.6131     2.0750     3.1166     1.5869     3.1730     2.7474 
   C  15    1.5861     2.0791     1.0375     2.6126     1.1985     1.7974 
   C  16    2.0750     2.6131     1.5829     3.1125     1.7939     2.1600 

              C   7      O   8      C   9      F  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.6173     0.0000 
   C   9    1.1985     3.7472     0.0000 
   F  10    1.7975     4.3269     0.5990     0.0000 
   C  11    0.6000     2.7514     1.0375     1.5862     0.0000 
   C  12    0.6011     3.1209     1.0377     1.5831     1.0399     0.0000 
   C  13    1.0399     3.3437     0.5974     1.0375     0.6011     1.2000 
   C  14    1.0375     3.6499     0.6000     1.0362     1.1985     0.5974 
   C  15    3.1166     0.5953     4.1978     4.7608     3.1746     3.6495 
   C  16    3.6457     1.0333     4.7567     5.3276     3.7431     4.1542 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.0377     0.0000 
   C  15    3.7482     4.1541     0.0000 
   C  16    4.3240     4.6804     0.5954     0.0000 



ATOMIC CHARGES
   C   1    0.2329515912
   N   2   -0.1405317414
   C   3    0.3717605743
   N   4   -0.1161602817
   O   5   -0.2421372833
  Cl   6   -0.0532448669
   C   7    0.0916361632
   O   8   -0.4437548121
   C   9    0.1402297011
   F  10   -0.2041707157
   C  11    0.0205561250
   C  12    0.0205561250
   C  13    0.0310267538
   C  14    0.0310267538
   C  15    0.2089728365
   C  16    0.0512830772


BOND ANGLES
   2    1    3   N2   C2   C2    120.113
   2    1    6   N2   C2   Cl    119.944
   3    1    6   C2   C2   Cl    119.944
   1    2    4   C2   N2  Npl    119.917
   1    3    5   C2   C2   O2    119.944
   1    3    8   C2   C2   O3    120.118
   5    3    8   O2   C2   O3    119.939
   2    4    7   N2  Npl  Car    119.917
   4    7   11  Npl  Car  Car    119.944
   4    7   12  Npl  Car  Car    120.118
  11    7   12  Car  Car  Car    119.939
   3    8   15   C2   O3   C3    120.266
  10    9   14    F  Car  Car    119.591
  13    9   14  Car  Car  Car    120.145
  10    9   13    F  Car  Car    120.265
   7   11   13  Car  Car  Car    119.939
   7   12   14  Car  Car  Car    119.917
   9   13   11  Car  Car  Car    119.917
   9   14   12  Car  Car  Car    120.145
   8   15   16   O3   C3   C3    120.415


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1    6      0.026
   5    3    1    2      0.026
   5    3    1    6    179.974
   8    3    1    2    179.974
   8    3    1    6      0.026
   7    4    2    1    179.974
  11    7    4    2      0.026
  12    7    4    2    179.974
  15    8    3    1    179.974
  15    8    3    5      0.026
  10    9   14   12    179.974
  13    9   14   12      0.026
  13   11    7    4    179.974
  13   11    7   12      0.026
  14   12    7    4    179.974
  14   12    7   11      0.026
   9   13   11    7      0.026
   9   14   12    7      0.026
  16   15    8    3    179.974
  11   13    9   14      0.026
  11   13    9   10    179.974