Benzeneacetic acid, 4-(bromomethyl)-, 2-oxo-2-phenylethyl ester


Chemical Name: Benzeneacetic acid, 4-(bromomethyl)-, 2-oxo-2-phenylethyl ester
CAS Number: 66270-97-1
Product Number: AG003TNQ(AGN-PC-0JT2NT)
Synonyms:
MDL No:
Molecular Formula: C17H15BrO3
Molecular Weight: 347.2032

Identification/Properties


Properties
MP:
84-87℃ (lit.)
BP:
457.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
347.208g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
7
Exact Mass:
346.02g/mol
Monoisotopic Mass:
346.02g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
342
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



2-Oxo-2-phenylethyl 2-(4-(bromomethyl)phenyl)acetate is a versatile compound used in chemical synthesis for the preparation of various organic molecules with potentially useful properties. This compound can serve as a key building block in the synthesis of complex organic compounds due to its unique structure and functional groups. In chemical reactions, it can participate in different pathways to yield a variety of derivatives that can be further modified or functionalized for specific applications. Its ability to undergo various chemical transformations makes it valuable in medicinal chemistry, material science, and other fields where the synthesis of diverse organic molecules is of importance. Its versatility and reactivity make it an essential component in the toolkit of synthetic chemists aiming to design and develop novel compounds for a wide range of applications.