5-BROMO-3-METHYL-1,2,4-OXADIAZOLE


Chemical Name: 5-BROMO-3-METHYL-1,2,4-OXADIAZOLE
CAS Number: 960053-90-1
Product Number: AG00J27S(AGN-PC-0WAK6R)
Synonyms:
MDL No:
Molecular Formula: C3H3BrN2O
Molecular Weight: 162.9727

Identification/Properties


Computed Properties
Molecular Weight:
162.974g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
161.943g/mol
Monoisotopic Mass:
161.943g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
70
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



5-Bromo-3-methyl-1,2,4-oxadiazole is a versatile chemical compound commonly used in chemical synthesis for various applications. This heterocyclic molecule contains a bromine atom, a methyl group, and an oxadiazole ring, making it a valuable building block in organic chemistry.One important application of 5-Bromo-3-methyl-1,2,4-oxadiazole is in the synthesis of pharmaceutical compounds. Its reactive nature allows for the introduction of functional groups at specific positions, enabling the creation of novel drug molecules with potential therapeutic benefits. By incorporating this compound into the synthesis of pharmaceutical intermediates, researchers can explore new avenues for drug discovery and development.Furthermore, 5-Bromo-3-methyl-1,2,4-oxadiazole can be utilized in the preparation of agrochemicals and specialty chemicals. Its structural features make it a useful precursor for synthesizing pesticide ingredients, herbicides, and other agricultural products. Additionally, this compound can serve as a key component in the production of specialty chemicals used in various industrial applications.Overall, the versatility of 5-Bromo-3-methyl-1,2,4-oxadiazole in chemical synthesis makes it a valuable tool for creating complex organic compounds with diverse functionalities. Its ability to facilitate the construction of unique molecular structures highlights its significance in advancing research and innovation across different fields of chemistry.