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4-methylpyrimidin-2-ol hydrochloride
4-methylpyrimidin-2-ol hydrochloride ID: B187248
CAS:5348-51-6
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(nc(ccn1)C)O.Cl	
FORMULA: C5H7ClN2O
MASS: 146.5749
EXACT MASS: 146.0246905
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7391     0.0000 
   N   3    0.7504     1.2917     0.0000 
   C   4    1.2993     0.7583     1.5008     0.0000 
   O   5    0.7500     1.2879     1.2993     1.9845     0.0000 
   C   6    1.2993     1.4978     0.7500     1.3000     1.9845     0.0000 
   C   7    1.5000     1.3003     1.3014     0.7468     2.2500     0.7541 
  Cl   8    1.8541     2.4018     2.2162     3.1109     1.1265     2.9610 
   C   9    1.9787     1.3035     2.2471     0.7463     2.5914     1.9842 

              C   7     Cl   8      C   9
              ---------------------------------
   C   7    0.0000 
  Cl   8    3.3396     0.0000 
   C   9    1.2958     3.7007     0.0000 



ATOMIC CHARGES
   C   1    0.3684825844
   N   2   -0.1951691346
   N   3   -0.1892805704
   C   4    0.0656618832
   O   5   -0.2426149037
   C   6    0.1049784684
   C   7    0.0356369806
  Cl   8    0.0000000000
   C   9    0.0523046920


BOND ANGLES
   2    1    3  Nar  Car  Nar    120.273
   2    1    5  Nar  Car   O3    119.746
   3    1    5  Nar  Car   O3    119.982
   1    2    4  Car  Nar  Car    120.373
   1    3    6  Car  Nar  Car    119.982
   2    4    9  Nar  Car   C3    120.057
   2    4    7  Nar  Car  Car    119.516
   7    4    9  Car  Car   C3    120.428
   3    6    7  Nar  Car  Car    119.822
   4    7    6  Car  Car  Car    120.035


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