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2-METHOXYPHENYLBORONIC ACID
2-METHOXYPHENYLBORONIC ACID
ID: BP-12107
CAS:5720-06-9
Supplier:BroadPharm

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SMILES:c1(B(O)O)c(OC)cccc1	
FORMULA: C7H9BO3
MASS: 151.9556
EXACT MASS: 152.0644745
INTERATOMIC DISTANCES

              C   1      B   2      C   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   B   2    1.4688     0.0000 
   C   3    1.3875     2.4710     0.0000 
   O   4    2.5104     1.4333     3.7720     0.0000 
   O   5    2.5042     1.4292     2.8629     2.4874     0.0000 
   C   6    1.4327     2.5083     2.4498     2.8889     3.8080     0.0000 
   O   7    2.4782     2.8542     1.4729     4.2875     2.4549     3.7997 
   C   8    2.4570     3.7997     1.4370     4.9673     4.2994     2.8542 
   C   9    2.8629     2.4477     2.5042     3.7568     1.3875     4.2953 
   C  10    2.4708     3.8161     2.8337     4.3252     4.9750     1.4364 
   C  11    2.8337     4.3025     2.4708     5.1608     5.1649     2.4519 

              O   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    2.5083     0.0000 
   C   9    1.4335     3.8096     0.0000 
   C  10    4.3066     2.4591     5.1649     0.0000 
   C  11    3.8177     1.4406     4.9750     1.3875     0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   B   2    0.0000000000
   C   3    0.0000000000
   O   4    0.0000000000
   O   5    0.0000000000
   C   6    0.0000000000
   O   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000


BOND ANGLES
   2    1    3   B2  Car  Car    119.766
   2    1    6   B2  Car  Car    119.640
   3    1    6  Car  Car  Car    120.594
   1    2    4  Car   B2   O3    119.766
   1    2    5  Car   B2   O3    119.556
   4    2    5   O3   B2   O3    120.678
   1    3    7  Car  Car   O3    120.046
   1    3    8  Car  Car  Car    120.879
   7    3    8   O3  Car  Car    119.075
   1    6   10  Car  Car  Car    118.897
   3    7    9  Car   O3   C3    118.990
   3    8   11  Car  Car  Car    118.328
   6   10   11  Car  Car  Car    120.509
   8   11   10  Car  Car  Car    120.793


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