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4-chloro-2-methylquinazoline
4-chloro-2-methylquinazoline
ID: BP-11973
CAS:6484-24-8
Supplier:BroadPharm

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SMILES:n1c(c2c(nc1C)cccc2)Cl	
FORMULA: C9H7ClN2
MASS: 178.6183
EXACT MASS: 178.0297759
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6011     0.0000 
   C   3    1.0417     0.6010     0.0000 
   N   4    1.0399     1.2000     1.0398     0.0000 
   C   5    0.6000     1.0399     1.2021     0.6011     0.0000 
   C   6    1.2021     1.0398     0.6000     0.6010     1.0417     0.0000 
  Cl   7    1.0399     0.6000     1.0398     1.8000     1.5879     1.5878 
   C   8    1.5870     1.0375     0.5975     1.5863     1.7996     1.0378 
   C   9    1.0377     1.5863     1.7995     1.0375     0.5974     1.5869 
   C  10    1.7996     1.5863     1.0378     1.0375     1.5870     0.5975 
   C  11    2.0792     1.5869     1.0375     1.7995     2.1640     1.1985 
   C  12    2.1640     1.7995     1.1985     1.5869     2.0792     1.0375 

             Cl   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Cl   7    0.0000 
   C   8    1.1985     0.0000 
   C   9    2.0776     2.3970     0.0000 
   C  10    2.0776     1.2000     2.0750     0.0000 
   C  11    1.7995     0.6010     2.7474     1.0398     0.0000 
   C  12    2.1629     1.0398     2.6131     0.6010     0.6000     0.0000 




ATOMIC CHARGES
   N   1   -0.2192708951
   C   2    0.1410434158
   C   3    0.0461806404
   N   4   -0.2306091344
   C   5    0.1404871561
   C   6    0.0849122957
  Cl   7   -0.0612393059
   C   8    0.0038705093
   C   9    0.0736834121
   C  10    0.0192204459
   C  11    0.0001743094
   C  12    0.0015471507


BOND ANGLES
   2    1    5  Car  Nar  Car    119.939
   1    2    3  Nar  Car  Car    120.118
   1    2    7  Nar  Car   Cl    119.939
   3    2    7  Car  Car   Cl    119.944
   2    3    6  Car  Car  Car    119.944
   2    3    8  Car  Car  Car    119.917
   6    3    8  Car  Car  Car    120.140
   5    4    6  Car  Nar  Car    120.118
   1    5    4  Nar  Car  Nar    119.939
   4    5    9  Nar  Car   C3    119.917
   1    5    9  Nar  Car   C3    120.145
   3    6   10  Car  Car  Car    120.140
   3    6    4  Car  Car  Nar    119.944
   4    6   10  Nar  Car  Car    119.917
   3    8   11  Car  Car  Car    119.917
   6   10   12  Car  Car  Car    119.917
   8   11   12  Car  Car  Car    119.944
  10   12   11  Car  Car  Car    119.944


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