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2-Fluoropyridine-5-carboxaldehyde
2-Fluoropyridine-5-carboxaldehyde ID: API-22408
CAS:677728-92-6
Supplier:APIchem

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SMILES:Fc1ncc(cc1)C=O	ChemMol.com
FORMULA: C6H4FNO
MASS: 125.1005
EXACT MASS: 125.0276920
INTERATOMIC DISTANCES

              F   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    4.5826     0.0000 
   N   3    1.7320     3.0000     0.0000 
   C   4    3.0000     1.7320     1.7321     0.0000 
   C   5    2.6457     2.6458     2.0000     1.0001     0.0000 
   C   6    1.7320     3.4641     1.7320     1.7321     1.0000     0.0000 
   C   7    2.6458     2.0000     1.0001     1.0000     1.7321     2.0000 
   C   8    1.0000     3.6055     1.0000     2.0000     1.7320     1.0000 
   C   9    4.0000     1.0000     2.6458     1.0000     1.7321     2.6458 
   H  10    3.1407     2.8292     2.6200     1.4158     0.6200     1.4158 
   H  11    1.8397     4.0130     2.2900     2.2901     1.4157     0.6200 
   H  12    3.1408     1.7732     1.4158     1.4158     2.2901     2.6200 
   H  13    4.3433     1.4158     3.1408     1.4158     1.8397     2.8292 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.7320     3.0000     0.0000 
   H  10    2.2901     2.2901     1.8397     0.0000 
   H  11    2.6200     1.4158     3.1408     1.6199     0.0000 
   H  12    0.6200     2.2901     1.8397     2.8059     3.2400     0.0000 
   H  13    2.2901     3.3533     0.6200     1.7321     3.2380     2.4522 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
   F   1   -0.1839061849
   O   2   -0.2956494974
   N   3   -0.2269226538
   C   4    0.0324438480
   C   5   -0.0458431826
   C   6   -0.0066136421
   C   7    0.0408352679
   C   8    0.2132182835
   C   9    0.1516509901
   H  10    0.0626228901
   H  11    0.0662403139
   H  12    0.0837357133
   H  13    0.1081878541


BOND ANGLES
   7    3    8  Car  Nar  Car    120.001
   5    4    7  Car  Car  Car    119.998
   5    4    9  Car  Car   C2    120.001
   7    4    9  Car  Car   C2    120.001
   4    5    6  Car  Car  Car    120.001
   4    5   10  Car  Car   HC    119.998
   6    5   10  Car  Car   HC    120.001
   5    6    8  Car  Car  Car    120.001
   5    6   11  Car  Car   HC    119.998
   8    6   11  Car  Car   HC    120.002
   3    7    4  Nar  Car  Car    119.998
   3    7   12  Nar  Car   HC    120.000
   4    7   12  Car  Car   HC    120.002
   1    8    3    F  Car  Nar    119.999
   1    8    6    F  Car  Car    120.001
   3    8    6  Nar  Car  Car    120.001
   2    9    4   O2   C2  Car    119.999
   2    9   13   O2   C2   HC    120.001
   4    9   13  Car   C2   HC    120.001


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