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(4-Chloro-3-pyridinyl)methanol
(4-Chloro-3-pyridinyl)methanol ID: API-25293
CAS:189449-41-0
Supplier:APIchem

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SMILES:c1(c(Cl)ccnc1)CO	ChemMol.com
FORMULA: C6H6ClNO
MASS: 143.5709
EXACT MASS: 143.0137915
INTERATOMIC DISTANCES

              C   1      C   2      N   3     Cl   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5530     0.0000 
   N   3    2.6864     3.1000     0.0000 
  Cl   4    2.6885     1.5500     4.6500     0.0000 
   C   5    1.5500     2.6864     1.5530     4.1034     0.0000 
   C   6    2.6833     1.5458     2.6823     2.6802     3.0988     0.0000 
   C   7    1.5408     2.6750     4.0978     3.0932     2.6818     4.0875 
   O   8    2.4492     3.9285     4.2779     4.6086     2.7262     5.1220 
   C   9    3.0988     2.6823     1.5458     4.0980     2.6833     1.5500 

              C   7      O   8      C   9
              ---------------------------------
   C   7    0.0000 
   O   8    1.5498     0.0000 
   C   9    4.6395     5.2601     0.0000 



ATOMIC CHARGES
   C   1    0.0403230852
   C   2    0.0591865081
   N   3   -0.2425119951
  Cl   4   -0.0823913092
   C   5    0.0979481822
   C   6    0.0318283297
   C   7    0.2109731320
   O   8   -0.2150880115
   C   9    0.0997320785


BOND ANGLES
   2    1    5  Car  Car  Car    119.936
   2    1    7  Car  Car   C3    119.684
   5    1    7  Car  Car   C3    120.380
   1    2    4  Car  Car   Cl    120.091
   1    2    6  Car  Car  Car    119.974
   4    2    6   Cl  Car  Car    119.934
   5    3    9  Car  Nar  Car    119.974
   1    5    3  Car  Car  Nar    119.936
   2    6    9  Car  Car  Car    120.090
   1    7    8  Car   C3   O3    104.837
   3    9    6  Nar  Car  Car    120.090


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