5-bromo-1H-indazole-7-carboxylic acid


Chemical Name: 5-bromo-1H-indazole-7-carboxylic acid
CAS Number: 953409-99-9
Product Number: AG00IIZP(AGN-PC-09RRKF)
Synonyms:
MDL No:
Molecular Formula: C8H5BrN2O2
Molecular Weight: 241.0415

Identification/Properties


Computed Properties
Molecular Weight:
241.044g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
239.953g/mol
Monoisotopic Mass:
239.953g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
224
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Bromo-1H-indazole-7-carboxylic acid is a versatile organic compound widely used in chemical synthesis. This compound serves as a key building block in the creation of various advanced materials and pharmaceuticals. Due to its unique structure and reactivity, 5-Bromo-1H-indazole-7-carboxylic acid plays a crucial role in the development of new molecules with important biological activities.In organic synthesis, this compound is commonly employed as a starting material for the preparation of indazole derivatives, which are known for their diverse pharmacological properties. By utilizing 5-Bromo-1H-indazole-7-carboxylic acid as a precursor, chemists can introduce different functional groups and modifications to the molecule, enabling the tailoring of specific chemical structures for desired applications.Furthermore, the presence of the bromine atom in 5-Bromo-1H-indazole-7-carboxylic acid provides synthetic chemists with a handle for further elaboration through cross-coupling reactions and other transformations. This feature enhances the versatility of the compound in the construction of complex molecules and facilitates the development of novel compounds with potential therapeutic effects.Overall, the strategic use of 5-Bromo-1H-indazole-7-carboxylic acid in chemical synthesis underscores its significance as a valuable intermediate in the creation of innovative compounds for various scientific and industrial purposes.