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(Z)-2-(2-(4-bromophenyl)hydrazono)-2-chloroacetaldehyde
(Z)-2-(2-(4-bromophenyl)hydrazono)-2-chloroacetaldehyde
ID: BP-12185
Supplier:BroadPharm

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SMILES:C(=N\Nc1ccc(Br)cc1)(/C=O)\Cl	
FORMULA: C8H6BrClN2O
MASS: 261.5030
EXACT MASS: 259.9352025
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      O   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6010     0.0000 
   N   3    1.0416     0.6010     0.0000 
   C   4    0.5975     1.0375     1.5869     0.0000 
   O   5    1.0341     1.1964     1.7974     0.5958     0.0000 
  Cl   6    0.6000     1.0398     1.2021     1.0378     1.5825     0.0000 
   C   7    1.5869     1.0375     0.5975     2.0750     2.1588     1.7995 
   C   8    2.7514     2.1640     1.7996     3.1739     3.1167     3.0017 
  Br   9    3.3396     2.7474     2.3970     3.7431     3.6460     3.5991 
   C  10    2.0791     1.5869     1.0375     2.6131     2.7460     2.1639 
   C  11    1.7995     1.1985     1.0378     2.1600     2.0750     2.1629 
   C  12    2.6173     2.0792     1.5870     3.1167     3.1731     2.7514 
   C  13    2.4006     1.7995     1.5863     2.7474     2.6136     2.7500 
   H  14    1.0375     1.5869     2.0791     0.6010     1.0362     1.1985 

              C   7      C   8     Br   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2021     0.0000 
  Br   9    1.7995     0.5974     0.0000 
   C  10    0.6010     1.0399     1.5863     0.0000 
   C  11    0.6000     1.0417     1.5869     1.0398     0.0000 
   C  12    1.0417     0.6000     1.0377     0.6011     1.2021     0.0000 
   C  13    1.0398     0.6011     1.0375     1.2000     0.6010     1.0399 
   H  14    2.6131     3.7472     4.3240     3.1166     2.7474     3.6499 

              C  13      H  14
              ----------------------
   C  13    0.0000 
   H  14    3.3396     0.0000 



ATOMIC CHARGES
   C   1    0.1880970281
   N   2   -0.1446178971
   N   3   -0.1162852023
   C   4    0.1812886276
   O   5   -0.2930851760
  Cl   6   -0.0570239854
   C   7    0.0915221650
   C   8    0.0346514335
  Br   9   -0.0489978150
   C  10    0.0187570639
   C  11    0.0187570639
   C  12    0.0080853063
   C  13    0.0080853063
   H  14    0.1107660812


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


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