Benzeneacetic acid, 4-bromo-2-fluoro-, methyl ester


Chemical Name: Benzeneacetic acid, 4-bromo-2-fluoro-, methyl ester
CAS Number: 193290-19-6
Product Number: AG0073EE(AGN-PC-09T3SG)
Synonyms:
MDL No: MFCD20483545
Molecular Formula: C9H8BrFO2
Molecular Weight: 247.0610

Identification/Properties


Computed Properties
Molecular Weight:
247.063g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
245.969g/mol
Monoisotopic Mass:
245.969g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
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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Chemical Structure



Methyl 2-(4-bromo-2-fluorophenyl)acetate is a versatile compound widely used in chemical synthesis due to its unique reactivity and functional group compatibility. This compound serves as a valuable building block in the preparation of various organic molecules, particularly in the pharmaceutical and agrochemical industries. Its functionality allows for the introduction of the 4-bromo-2-fluorophenyl and acetoxy groups into target molecules, enabling the synthesis of complex structures with defined stereochemistry and desired properties. Additionally, the presence of the ester group in Methyl 2-(4-bromo-2-fluorophenyl)acetate enables further derivatization through common chemical transformations such as hydrolysis, reduction, and substitution reactions, expanding its utility in the synthesis of diverse chemical compounds.