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(Z)-1-(2-(4'-bromophenyl)hydrazono)-1-chloropropan-2-one
(Z)-1-(2-(4'-bromophenyl)hydrazono)-1-chloropropan-2-one
ID: BP-12180
Supplier:BroadPharm

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SMILES:C(=N\Nc1ccc(Br)cc1)(/C(=O)C)\Cl	
FORMULA: C9H8BrClN2O
MASS: 275.5296
EXACT MASS: 273.9508526
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      O   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6011     0.0000 
   C   3    0.5974     1.0375     0.0000 
   N   4    1.0417     0.6010     1.5869     0.0000 
   O   5    1.0377     1.1985     0.6000     1.7995     0.0000 
  Cl   6    0.6000     1.0399     1.0377     1.2021     1.5865     0.0000 
   C   7    1.5910     1.0416     2.0791     0.6010     2.1639     1.8032 
   C   8    2.7514     2.1639     3.1738     1.7995     3.1166     3.0017 
  Br   9    3.3397     2.7474     3.7431     2.3970     3.6457     3.5991 
   C  10    1.8032     1.2021     2.1639     1.0398     2.0791     2.1660 
   C  11    2.0792     1.5869     2.6131     1.0375     2.7474     2.1640 
   C  12    2.6173     2.0791     3.1166     1.5869     3.1738     2.7514 
   C  13    2.4006     1.7995     2.7474     1.5863     2.6131     2.7501 
   C  14    1.0375     1.5870     0.6011     2.0792     1.0399     1.1985 

              C   7      C   8     Br   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.1985     0.0000 
  Br   9    1.7960     0.5975     0.0000 
   C  10    0.6000     1.0375     1.5829     0.0000 
   C  11    0.5975     1.0398     1.5863     1.0378     0.0000 
   C  12    1.0375     0.6000     1.0378     1.1985     0.6010     0.0000 
   C  13    1.0378     0.6010     1.0375     0.5975     1.2000     1.0398 
   C  14    2.6173     3.7472     4.3240     2.7514     3.1167     3.6499 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    3.3397     0.0000 



ATOMIC CHARGES
   C   1    0.1919691326
   N   2   -0.1442997162
   C   3    0.2032567440
   N   4   -0.1162759369
   O   5   -0.2887398966
  Cl   6   -0.0567301129
   C   7    0.0915222994
   C   8    0.0346514335
  Br   9   -0.0489978150
   C  10    0.0187570644
   C  11    0.0187570644
   C  12    0.0080853063
   C  13    0.0080853063
   C  14    0.0799591267


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


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