3-Methyl-1H-indazole-6-boronic acid


Chemical Name: 3-Methyl-1H-indazole-6-boronic acid
CAS Number: 1245816-26-5
Product Number: AG000MF1(AGN-PC-0WA8TO)
Synonyms:
MDL No:
Molecular Formula: C8H9BN2O2
Molecular Weight: 175.9803

Identification/Properties


Computed Properties
Molecular Weight:
175.982g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
176.076g/mol
Monoisotopic Mass:
176.076g/mol
Topological Polar Surface Area:
69.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
191
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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Chemical Structure



3-Methyl-1H-indazole-6-boronic acid is a versatile compound commonly used in chemical synthesis as a key building block for the preparation of various pharmaceuticals and agrochemicals. Its boronic acid functionality enables it to participate in Suzuki coupling reactions, a widely used method for forming carbon-carbon bonds. In the context of chemical synthesis, this compound serves as a valuable tool for the introduction of the indazole moiety into complex molecular structures. Its strategic placement allows for the efficient construction of diverse molecules with enhanced biological activities. Additionally, the unique properties of 3-Methyl-1H-indazole-6-boronic acid make it an essential component in the development of novel drug candidates and functional materials, highlighting its significance in modern synthetic chemistry.