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2-Methylpyridine-5-boronic acid
2-Methylpyridine-5-boronic acid
ID: BP-11291
CAS:1072952-30-7
Supplier:BroadPharm

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SMILES:c1(B(O)O)cnc(cc1)C	
FORMULA: C6H8BNO2
MASS: 136.9442
EXACT MASS: 137.0648089
INTERATOMIC DISTANCES

              C   1      B   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   B   2    1.2500     0.0000 
   N   3    2.1613     3.3047     0.0000 
   C   4    1.2435     2.1613     1.2500     0.0000 
   C   5    1.2543     2.1676     2.4978     2.1625     0.0000 
   C   6    2.5000     3.7500     1.2435     2.1613     2.1676     0.0000 
   O   7    2.1613     1.2435     3.7500     2.5000     3.3055     4.5051 
   O   8    2.1676     1.2543     4.3288     3.3055     2.5000     4.5081 
   C   9    2.1676     3.3088     2.1625     2.4978     1.2500     1.2543 
   C  10    3.7500     5.0000     2.1613     3.3047     3.3088     1.2500 

              O   7      O   8      C   9      C  10
              --------------------------------------------
   O   7    0.0000 
   O   8    2.1625     0.0000 
   C   9    4.3288     3.7500     0.0000 
   C  10    5.7268     5.7292     2.1676     0.0000 



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


BOND ANGLES
   2    1    4   B2  Car  Car    120.174
   2    1    5   B2  Car  Car    119.887
   4    1    5  Car  Car  Car    119.940
   1    2    7  Car   B2   O3    120.174
   1    2    8  Car   B2   O3    119.887
   7    2    8   O3   B2   O3    119.940
   4    3    6  Car  Nar  Car    120.174
   1    4    3  Car  Car  Nar    120.174
   1    5    9  Car  Car  Car    119.887
   9    6   10  Car  Car   C3    119.887
   3    6    9  Nar  Car  Car    119.940
   3    6   10  Nar  Car   C3    120.174
   5    9    6  Car  Car  Car    119.887


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