[6-(methylcarbamoyl)pyridin-3-yl]boronic acid


Chemical Name: [6-(methylcarbamoyl)pyridin-3-yl]boronic acid
CAS Number: 1217340-94-7
Product Number: AG0015N7(AGN-PC-0JF3XM)
Synonyms:
MDL No:
Molecular Formula: C7H9BN2O3
Molecular Weight: 179.9690

Identification/Properties


Computed Properties
Molecular Weight:
179.97g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
180.071g/mol
Monoisotopic Mass:
180.071g/mol
Topological Polar Surface Area:
82.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
189
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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