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4-chloro-N-hydroxybenzenecarboximidoyl chloride
4-chloro-N-hydroxybenzenecarboximidoyl chloride
ID: BP-11268
CAS:28123-63-9
Supplier:BroadPharm

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SMILES:C(=N\O)(/c1ccc(cc1)Cl)\Cl	
FORMULA: C7H5Cl2NO
MASS: 190.0267
EXACT MASS: 188.9748191
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2507     0.0000 
   C   3    1.2500     2.1654     0.0000 
   C   4    2.1634     3.3055     1.2471     0.0000 
   C   5    2.1654     2.5000     1.2507     2.1625     0.0000 
  Cl   6    1.2471     2.1625     2.1634     2.5000     3.3055     0.0000 
   C   7    3.7500     4.5071     2.5000     2.1634     2.1654     4.5061 
   O   8    2.1654     1.2500     3.3074     4.3288     3.7500     2.4978 
   C   9    3.3074     3.7500     2.1654     2.4978     1.2500     4.3288 
   C  10    3.3061     4.3288     2.1634     1.2500     2.4978     3.7500 
  Cl  11    5.0000     5.7284     3.7500     3.3061     3.3074     5.7276 

              C   7      O   8      C   9      C  10     Cl  11
              -------------------------------------------------------
   C   7    0.0000 
   O   8    5.7284     0.0000 
   C   9    1.2507     5.0000     0.0000 
   C  10    1.2471     5.4476     2.1625     0.0000 
  Cl  11    1.2500     6.9598     2.1654     2.1634     0.0000 



ATOMIC CHARGES
   C   1    0.1809732710
   N   2   -0.0178132670
   C   3    0.0318930965
   C   4    0.0033370940
   C   5    0.0033370940
  Cl   6   -0.0577838086
   C   7    0.0576735186
   O   8   -0.1423156086
   C   9    0.0114715293
   C  10    0.0114715293
  Cl  11   -0.0822444486


BOND ANGLES
   2    1    3   N2   C2  Car    119.982
   2    1    6   N2   C2   Cl    119.941
   3    1    6  Car   C2   Cl    120.077
   1    2    8   C2   N2   O2    119.982
   1    3    4   C2  Car  Car    120.077
   1    3    5   C2  Car  Car    119.982
   4    3    5  Car  Car  Car    119.941
   3    4   10  Car  Car  Car    120.077
   3    5    9  Car  Car  Car    119.982
   9    7   11  Car  Car   Cl    119.982
   9    7   10  Car  Car  Car    119.941
  10    7   11  Car  Car   Cl    120.077
   5    9    7  Car  Car  Car    119.982
   4   10    7  Car  Car  Car    120.077


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