methyl 3-bromo-1H-indole-5-carboxylate


Chemical Name: methyl 3-bromo-1H-indole-5-carboxylate
CAS Number: 916179-88-9
Product Number: AG003RRL(AGN-PC-09SGCH)
Synonyms:
MDL No: MFCD12828702
Molecular Formula: C10H8BrNO2
Molecular Weight: 254.0800

Identification/Properties


Properties
Storage:
-10 ℃;
Computed Properties
Molecular Weight:
254.083g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
252.974g/mol
Monoisotopic Mass:
252.974g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 3-Bromoindole-5-carboxylate is a versatile chemical compound widely used in chemical synthesis processes. This compound serves as a key building block in the production of various pharmaceuticals, agrochemicals, and advanced materials due to its unique reactivity and functional groups. In organic synthesis, Methyl 3-Bromoindole-5-carboxylate can undergo a variety of reactions such as nucleophilic substitution, cross-coupling, and cycloaddition to introduce specific functional groups or stereochemical features into the target molecules. Its presence in the chemical toolbox allows for the creation of complex molecular architectures with high efficiency and precision. Additionally, Methyl 3-Bromoindole-5-carboxylate plays a crucial role in the development of new drugs, pesticides, and bioactive compounds by enabling chemists to access diverse chemical space and explore novel synthetic routes. Overall, this compound is a valuable asset in the realm of chemical synthesis, offering endless possibilities for the creation of innovative and impactful products.