Butanoic acid, 4-(3-bromophenoxy)-


Chemical Name: Butanoic acid, 4-(3-bromophenoxy)-
CAS Number: 170638-88-7
Product Number: AG019HQY(AGN-PC-0KFNII)
Synonyms:
MDL No:
Molecular Formula: C10H11BrO3
Molecular Weight: 259.0965

Identification/Properties


Computed Properties
Molecular Weight:
259.099g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
257.989g/mol
Monoisotopic Mass:
257.989g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
184
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



4-(3-Bromophenoxy)butanoic acid is a versatile compound commonly used in chemical synthesis as a building block for the preparation of various pharmaceuticals, agrochemicals, and materials. Its unique structure containing a bromophenyl group attached to a butanoic acid moiety offers opportunities for functionalization and transformation into a wide range of derivatives.In organic synthesis, 4-(3-Bromophenoxy)butanoic acid can serve as a key intermediate for the synthesis of biologically active compounds such as antiviral agents, anti-inflammatory drugs, and herbicides. Its structural flexibility allows for the modification of specific functional groups, enabling the fine-tuning of desired properties and activities in target molecules.Additionally, this compound can participate in various types of chemical reactions, including esterification, amidation, and nucleophilic substitution, facilitating the construction of complex molecular structures. Its presence in a synthesis scheme can enhance the efficiency and selectivity of desired transformations, leading to the production of valuable chemical products.Overall, the application of 4-(3-Bromophenoxy)butanoic acid in chemical synthesis offers researchers and chemists a powerful tool for the design and preparation of diverse compounds with significant potential in the fields of pharmaceuticals, agriculture, and materials science.