Acetic acid, (4-bromophenoxy)-, ethyl ester


Chemical Name: Acetic acid, (4-bromophenoxy)-, ethyl ester
CAS Number: 6964-29-0
Product Number: AG00FB76(AGN-PC-0JOKSR)
Synonyms:
MDL No:
Molecular Formula: C10H11BrO3
Molecular Weight: 259.0965

Identification/Properties


Computed Properties
Molecular Weight:
259.099g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
257.989g/mol
Monoisotopic Mass:
257.989g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
176
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



Acetic acid, 2-(4-bromophenoxy)-, ethyl ester is a versatile chemical compound commonly employed in chemical synthesis processes. Its unique structure and properties make it a valuable reagent in various organic reactions.This compound is often utilized as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. Its bromophenoxy group can serve as a key functional group in building complex molecular structures through substitution reactions. Additionally, the ethyl ester moiety provides ease of manipulation in chemical transformations.In organic synthesis, acetic acid, 2-(4-bromophenoxy)-, ethyl ester can participate in reactions such as acylation, esterification, and nucleophilic substitution. Its compatibility with a wide range of reagents and reaction conditions makes it a preferred choice for chemists working in medicinal chemistry, material science, and other research areas.Overall, this compound plays a crucial role in the development of new compounds with diverse functionalities and applications in various industries. Its versatility and reliability make it a go-to reagent for chemists engaged in cutting-edge chemical synthesis endeavors.