5-Bromo-1,4-dimethyl-1H-indazole


Chemical Name: 5-Bromo-1,4-dimethyl-1H-indazole
CAS Number: 1159511-80-4
Product Number: AG000H63(AGN-PC-0WAB20)
Synonyms:
MDL No:
Molecular Formula: C9H9BrN2
Molecular Weight: 225.0852

Identification/Properties


Computed Properties
Molecular Weight:
225.089g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
223.995g/mol
Monoisotopic Mass:
223.995g/mol
Topological Polar Surface Area:
17.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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

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NMR Spectrum


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Chemical Structure



5-Bromo-1,4-dimethyl-1H-indazole, also known as $name$, is a versatile compound widely utilized in chemical synthesis. This compound plays a crucial role in the preparation of various pharmaceuticals, agrochemicals, and materials due to its unique chemical properties. Its bromine substituent imparts reactivity and selectivity in numerous synthetic transformations, making it an indispensable building block in the creation of complex molecular structures. Specifically, $name$ is frequently employed as a key intermediate in the synthesis of novel indazole derivatives, which exhibit a wide range of biological activities and potential therapeutic applications. Additionally, its structural versatility allows for functionalization at multiple positions, enabling the customization of molecular frameworks for specific targets in drug discovery and material science. By serving as a cornerstone in the construction of diverse chemical entities, $name$ continues to be a valuable tool for researchers and chemists seeking to develop innovative compounds with enhanced properties and applications.