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2-chloro-2-(4'-bromophenylhydrazono)acetic acid ethyl ester
2-chloro-2-(4'-bromophenylhydrazono)acetic acid ethyl ester
ID: BP-12184
CAS:27143-10-8
Supplier:BroadPharm

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SMILES:C(=N\Nc1ccc(Br)cc1)(/C(=O)OCC)\Cl	
FORMULA: C10H10BrClN2O2
MASS: 305.5556
EXACT MASS: 303.9614173
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    0.5975     1.0375     0.0000 
   N   4    1.0416     0.6010     1.5869     0.0000 
   O   5    1.0341     1.1964     0.5958     1.7974     0.0000 
  Cl   6    0.6000     1.0398     1.0378     1.2021     1.5825     0.0000 
   C   7    1.5869     1.0375     2.0750     0.5975     2.1588     1.7995 
   O   8    1.0375     1.5869     0.6010     2.0791     1.0362     1.1985 
   C   9    2.7514     2.1640     3.1739     1.7996     3.1167     3.0017 
  Br  10    3.3381     2.7460     3.7421     2.3949     3.6457     3.5970 
   C  11    1.7995     1.1985     2.1600     1.0378     2.0750     2.1629 
   C  12    2.0791     1.5869     2.6131     1.0375     2.7460     2.1639 
   C  13    2.4006     1.7995     2.7474     1.5863     2.6136     2.7500 
   C  14    2.6173     2.0792     3.1167     1.5870     3.1731     2.7514 
   C  15    1.5821     2.0750     1.0375     2.6126     1.1985     1.7939 
   C  16    2.0750     2.6131     1.5869     3.1166     1.7974     2.1600 

              C   7      O   8      C   9     Br  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.6131     0.0000 
   C   9    1.2021     3.7472     0.0000 
  Br  10    1.7974     4.3228     0.5953     0.0000 
   C  11    0.6000     2.7474     1.0417     1.5861     0.0000 
   C  12    0.6010     3.1166     1.0399     1.5831     1.0398     0.0000 
   C  13    1.0398     3.3396     0.6011     1.0375     0.6010     1.2000 
   C  14    1.0417     3.6499     0.6000     1.0341     1.2021     0.6011 
   C  15    3.1125     0.5954     4.1979     4.7567     3.1706     3.6453 
   C  16    3.6457     1.0375     4.7608     5.3275     3.7431     4.1541 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.0399     0.0000 
   C  15    3.7441     4.1542     0.0000 
   C  16    4.3240     4.6846     0.5989     0.0000 



ATOMIC CHARGES
   C   1    0.2329515912
   N   2   -0.1405317467
   C   3    0.3717605743
   N   4   -0.1161617294
   O   5   -0.2421372833
  Cl   6   -0.0532448669
   C   7    0.0915239853
   O   8   -0.4437548121
   C   9    0.0346514335
  Br  10   -0.0489978150
   C  11    0.0187570714
   C  12    0.0187570714
   C  13    0.0080853063
   C  14    0.0080853063
   C  15    0.2089728365
   C  16    0.0512830772


BOND ANGLES
   2    1    3   N2   C2   C2    119.917
   2    1    6   N2   C2   Cl    119.944
   3    1    6   C2   C2   Cl    120.140
   1    2    4   C2   N2  Npl    120.113
   1    3    5   C2   C2   O2    120.140
   1    3    8   C2   C2   O3    119.917
   5    3    8   O2   C2   O3    119.944
   2    4    7   N2  Npl  Car    119.917
   4    7   11  Npl  Car  Car    120.140
   4    7   12  Npl  Car  Car    119.917
  11    7   12  Car  Car  Car    119.944
   3    8   15   C2   O3   C3    120.266
  10    9   14   Br  Car  Car    119.795
  13    9   14  Car  Car  Car    119.939
  10    9   13   Br  Car  Car    120.266
   7   11   13  Car  Car  Car    119.944
   7   12   14  Car  Car  Car    120.118
   9   13   11  Car  Car  Car    120.118
   9   14   12  Car  Car  Car    119.939
   8   15   16   O3   C3   C3    120.614


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