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(4-fluoro-3-pyridyl)boronic acid
(4-fluoro-3-pyridyl)boronic acid ID: AN-17317
CAS:860626-80-8
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1c(cncc1)B(O)O	2782773
FORMULA: C5H5BFNO2
MASS: 140.9081
EXACT MASS: 141.0397370
INTERATOMIC DISTANCES

              F   1      O   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    3.0000     0.0000 
   O   3    1.7320     1.7321     0.0000 
   N   4    3.0000     3.0000     3.4641     0.0000 
   C   5    1.7320     1.7321     1.7320     1.7321     0.0000 
   C   6    1.0000     2.6458     2.0000     2.0000     1.0000     0.0000 
   C   7    2.6458     2.0000     2.6458     1.0000     1.0001     1.7321 
   C   8    1.7320     3.4641     3.0000     1.7321     1.7320     1.0000 
   C   9    2.6457     3.6056     3.6055     1.0001     2.0000     1.7320 
   B  10    2.0000     1.0001     1.0000     2.6458     1.0000     1.7320 
   H  11    3.1408     1.7732     2.8292     1.4158     1.4158     2.2901 
   H  12    1.8397     4.0130     3.3533     2.2901     2.2900     1.4158 
   H  13    3.1407     4.2101     4.2100     1.4158     2.6200     2.2901 
   H  14    3.3533     0.6200     1.8397     3.6200     2.2901     3.1408 
   H  15    2.2901     1.8397     0.6200     4.0131     2.2901     2.6200 

              C   7      C   8      C   9      B  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.7321     1.0000     0.0000 
   B  10    1.7321     2.6457     3.0000     0.0000 
   H  11    0.6200     2.6200     2.2901     1.8397     0.0000 
   H  12    2.6200     0.6200     1.4157     3.1407     3.2400     0.0000 
   H  13    2.2901     1.4158     0.6200     3.6200     2.8059     1.6199 
   H  14    2.6200     4.0131     4.2101     1.4158     2.3716     4.5380 
   H  15    3.1408     3.6200     4.2100     1.4158     3.2380     3.9665 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    4.8185     0.0000 
   H  15    4.8185     1.7321     0.0000 



ATOMIC CHARGES
   F   1    0.0000000000
   O   2    0.0000000000
   O   3    0.0000000000
   N   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   B  10    0.0000000000
   H  11    0.0000000000
   H  12    0.0000000000
   H  13    0.0000000000
   H  14    0.0000000000
   H  15    0.0000000000


BOND ANGLES
  10    2   14   B2   O3   HO    119.998
  10    3   15   B2   O3   HO    120.001
   7    4    9  Car  Nar  Car    119.998
   6    5    7  Car  Car  Car    120.001
   6    5   10  Car  Car   B2    120.001
   7    5   10  Car  Car   B2    119.998
   1    6    5    F  Car  Car    119.999
   1    6    8    F  Car  Car    120.001
   5    6    8  Car  Car  Car    120.001
   4    7    5  Nar  Car  Car    119.998
   4    7   11  Nar  Car   HC    120.002
   5    7   11  Car  Car   HC    120.000
   6    8    9  Car  Car  Car    120.001
   6    8   12  Car  Car   HC    120.002
   9    8   12  Car  Car   HC    119.998
   4    9    8  Nar  Car  Car    120.001
   4    9   13  Nar  Car   HC    119.998
   8    9   13  Car  Car   HC    120.001
   2   10    3   O3   B2   O3    120.001
   2   10    5   O3   B2  Car    119.998
   3   10    5   O3   B2  Car    120.001


TORSION ANGLES
  14    2   10    3      0.026
  14    2   10    5    179.974
  15    3   10    2      0.026
  15    3   10    5    179.974
   9    4    7    5      0.026
   9    4    7   11    179.974
   7    4    9    8      0.026
   7    4    9   13    179.974
   7    5    6    1    179.974
   7    5    6    8      0.026
  10    5    6    1      0.026
  10    5    6    8    179.974
   6    5    7    4      0.026
   6    5    7   11    179.974
  10    5    7    4    179.974
  10    5    7   11      0.026
   6    5   10    2    179.974
   6    5   10    3      0.026
   7    5   10    2      0.026
   7    5   10    3    179.974
   1    6    8    9    179.974
   1    6    8   12      0.026
   5    6    8    9      0.026
   5    6    8   12    179.974
   6    8    9    4      0.026
   6    8    9   13    179.974
  12    8    9    4    179.974
  12    8    9   13      0.026