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2,7-dichloro-4-methylquinoline
2,7-dichloro-4-methylquinoline
ID: BP-11246
CAS:59666-16-9
Supplier:BroadPharm

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SMILES:c12nc(cc(c1ccc(c2)Cl)C)Cl	
FORMULA: C10H7Cl2N
MASS: 212.0753
EXACT MASS: 210.9955546
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2507     0.0000 
   C   3    1.2500     2.1654     0.0000 
   C   4    2.1625     1.2471     2.4978     0.0000 
   C   5    2.1654     2.5000     1.2507     2.1634     0.0000 
   C   6    1.2471     2.1625     2.1634     3.3014     3.3055     0.0000 
   C   7    2.4978     2.1634     2.1625     1.2500     1.2471     3.7449 
   C   8    2.1634     3.3055     1.2471     3.7449     2.1625     2.5000 
   C   9    2.1667     3.3096     2.5014     4.3292     3.7521     1.2543 
  Cl  10    3.3054     2.1625     3.7484     1.2507     3.3055     4.3250 
   C  11    2.5014     3.7521     2.1667     4.5060     3.3096     2.1676 
  Cl  12    3.3096     4.3333     3.7521     5.4485     5.0027     2.1708 
   C  13    3.3074     3.7500     2.1654     3.3061     1.2500     4.3288 

              C   7      C   8      C   9     Cl  10      C  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.3014     0.0000 
   C   9    4.5060     2.1676     0.0000 
  Cl  10    2.1654     4.9956     5.4485     0.0000 
   C  11    4.3292     1.2543     1.2500     5.7281     0.0000 
  Cl  12    5.7281     3.3109     1.2507     6.4958     2.1654     0.0000 
   C  13    2.1634     2.4978     4.5087     4.3288     3.7521     5.7306 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0827702750
   N   2   -0.2339492456
   C   3    0.0138595883
   C   4    0.1379837131
   C   5   -0.0180318900
   C   6    0.0305049416
   C   7    0.0265481882
   C   8    0.0020493554
   C   9    0.0591696593
  Cl  10   -0.0613479196
   C  11    0.0114823110
  Cl  12   -0.0821942365
   C  13    0.0311552598


BOND ANGLES
   2    1    3  Nar  Car  Car    119.982
   2    1    6  Nar  Car  Car    119.941
   3    1    6  Car  Car  Car    120.077
   1    2    4  Car  Nar  Car    119.941
   1    3    5  Car  Car  Car    119.982
   1    3    8  Car  Car  Car    120.077
   5    3    8  Car  Car  Car    119.941
   2    4   10  Nar  Car   Cl    119.941
   2    4    7  Nar  Car  Car    120.077
   7    4   10  Car  Car   Cl    119.982
   3    5    7  Car  Car  Car    119.941
   3    5   13  Car  Car   C3    119.982
   7    5   13  Car  Car   C3    120.077
   1    6    9  Car  Car  Car    120.037
   4    7    5  Car  Car  Car    120.077
   3    8   11  Car  Car  Car    120.037
   6    9   11  Car  Car  Car    119.887
   6    9   12  Car  Car   Cl    120.131
  11    9   12  Car  Car   Cl    119.982
   8   11    9  Car  Car  Car    119.887


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