Benzoic acid, 4-iodo-2-methyl-, methyl ester


Chemical Name: Benzoic acid, 4-iodo-2-methyl-, methyl ester
CAS Number: 103440-53-5
Product Number: AG007GOT(AGN-PC-00OYD5)
Synonyms:
MDL No:
Molecular Formula: C9H9IO2
Molecular Weight: 276.0710

Identification/Properties


Computed Properties
Molecular Weight:
276.073g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
275.965g/mol
Monoisotopic Mass:
275.965g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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 4-iodo-2-methylbenzoate is a crucial compound utilized in various chemical synthesis processes due to its unique properties and reactivity. This compound serves as an important building block in the preparation of diverse organic molecules and pharmaceuticals.In chemical synthesis, Methyl 4-iodo-2-methylbenzoate acts as a versatile intermediate that can undergo a range of reactions to introduce functional groups or modify the structure of a molecule. Its reactivity allows for the formation of esters, ketones, and other organic compounds through substitutions, additions, or coupling reactions.Furthermore, Methyl 4-iodo-2-methylbenzoate can be a key component in the synthesis of complex natural products, agrochemicals, and materials with specific properties. Its strategic placement of the iodine and methyl groups provides opportunities for further derivatization, enabling chemists to tailor the structure of the final product for desired properties or activities.Overall, the application of Methyl 4-iodo-2-methylbenzoate in chemical synthesis plays a vital role in the design and creation of novel compounds with various industrial and scientific applications.