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3-Chloro-4-hydroxy-2(1H)-pyridinone
3-Chloro-4-hydroxy-2(1H)-pyridinone ID: API-28893
CAS:103792-81-0
Supplier:APIchem

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SMILES:c1(=O)c(c(cc[nH]1)O)Cl	ChemMol.com
FORMULA: C5H4ClNO2
MASS: 145.5438
EXACT MASS: 144.9930561
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0461     2.6380     1.5230     0.0000 
   N   6    1.5230     2.6380     3.0461     2.6379     1.5230     0.0000 
   O   7    1.5230     2.6379     4.0295     4.5690     4.0295     2.6379 
   O   8    4.0295     2.6379     1.5230     2.6379     4.0295     4.5690 
  Cl   9    2.6379     1.5230     2.6379     4.0295     4.5690     4.0295 

              O   7      O   8     Cl   9
              ---------------------------------
   O   7    0.0000 
   O   8    5.2758     0.0000 
  Cl   9    3.0460     3.0460     0.0000 



ATOMIC CHARGES
   C   1    0.2929907726
   C   2    0.1540824036
   C   3    0.2124283441
   C   4    0.0637954540
   C   5    0.1055481780
   N   6   -0.2054164090
   O   7   -0.2641488763
   O   8   -0.2854459060
  Cl   9   -0.0738339609


BOND ANGLES
   2    1    6  Car  Car  Nar    120.002
   2    1    7  Car  Car   O2    119.999
   6    1    7  Nar  Car   O2    119.999
   1    2    3  Car  Car  Car    119.999
   1    2    9  Car  Car   Cl    120.000
   3    2    9  Car  Car   Cl    120.001
   2    3    4  Car  Car  Car    119.999
   2    3    8  Car  Car   O3    120.001
   4    3    8  Car  Car   O3    120.000
   3    4    5  Car  Car  Car    120.002
   4    5    6  Car  Car  Nar    119.999
   1    6    5  Car  Nar  Car    119.999


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