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2-Chloro-2-(phenylhydrazono)acetic acid ethyl ester
2-Chloro-2-(phenylhydrazono)acetic acid ethyl ester
ID: BP-12175
CAS:28663-68-5
Supplier:BroadPharm

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SMILES:C(=N\Nc1ccccc1)(/C(=O)OCC)\Cl	
FORMULA: C10H11ClN2O2
MASS: 226.6595
EXACT MASS: 226.0509053
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      O   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.5974     0.0000 
   C   3    0.6011     1.0375     0.0000 
   N   4    1.0375     0.6011     1.5870     0.0000 
   O   5    1.0399     1.1985     0.6000     1.7996     0.0000 
  Cl   6    0.6000     1.0377     1.0399     1.1985     1.5879     0.0000 
   O   7    1.0417     1.5869     0.6010     2.0792     1.0398     1.2021 
   C   8    1.5869     1.0417     2.0792     0.6010     2.1640     1.7995 
   C   9    1.5910     2.0791     1.0416     2.6173     1.2021     1.8032 
   C  10    1.7995     1.2021     2.1640     1.0398     2.0792     2.1629 
   C  11    2.0750     1.5870     2.6132     1.0375     2.7475     2.1600 
   C  12    2.0792     2.6131     1.5869     3.1167     1.7995     2.1640 
   C  13    2.3970     1.7996     2.7475     1.5863     2.6132     2.7469 
   C  14    2.6131     2.0792     3.1167     1.5869     3.1739     2.7474 
   C  15    2.7474     2.1640     3.1739     1.7995     3.1167     2.9980 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    2.6173     0.0000 
   C   9    0.6010     3.1208     0.0000 
   C  10    2.7514     0.6000     3.1780     0.0000 
   C  11    3.1167     0.5975     3.6499     1.0378     0.0000 
   C  12    1.0375     3.6499     0.5975     3.7472     4.1542     0.0000 
   C  13    3.3397     1.0378     3.7472     0.5975     1.2000     4.3240 
   C  14    3.6499     1.0375     4.1583     1.1985     0.6010     4.6846 
   C  15    3.7472     1.1985     4.2014     1.0375     1.0398     4.7608 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.0398     0.0000 
   C  15    0.6010     0.6000     0.0000 



ATOMIC CHARGES
   C   1    0.2329515912
   N   2   -0.1405317482
   C   3    0.3717605743
   N   4   -0.1161621275
   O   5   -0.2421372833
  Cl   6   -0.0532448669
   O   7   -0.4437548121
   C   8    0.0914929382
   C   9    0.2089728365
   C  10    0.0182519490
   C  11    0.0182519490
   C  12    0.0512830772
   C  13    0.0013897712
   C  14    0.0013897712
   C  15    0.0000863800


BOND ANGLES
   2    1    3   N2   C2   C2    119.917
   2    1    6   N2   C2   Cl    120.145
   3    1    6   C2   C2   Cl    119.939
   1    2    4   C2   N2  Npl    119.917
   1    3    5   C2   C2   O2    119.939
   1    3    7   C2   C2   O3    120.118
   5    3    7   O2   C2   O3    119.944
   2    4    8   N2  Npl  Car    120.118
   3    7    9   C2   O3   C3    120.113
   4    8   10  Npl  Car  Car    119.944
   4    8   11  Npl  Car  Car    119.917
  10    8   11  Car  Car  Car    120.140
   7    9   12   O3   C3   C3    119.917
   8   10   13  Car  Car  Car    120.140
   8   11   14  Car  Car  Car    119.917
  10   13   15  Car  Car  Car    119.917
  11   14   15  Car  Car  Car    119.944
  13   15   14  Car  Car  Car    119.944


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