3-Thiophenecarboxylic acid, 5-chloro-4-methoxy-


Chemical Name: 3-Thiophenecarboxylic acid, 5-chloro-4-methoxy-
CAS Number: 133659-14-0
Product Number: AG007266(AGN-PC-0KKYUN)
Synonyms:
MDL No:
Molecular Formula: C6H5ClO3S
Molecular Weight: 192.6201

Identification/Properties


Computed Properties
Molecular Weight:
192.613g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
191.965g/mol
Monoisotopic Mass:
191.965g/mol
Topological Polar Surface Area:
74.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
164
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



5-Chloro-4-methoxythiophene-3-carboxylic acid is a versatile building block in chemical synthesis due to its unique structure and reactivity. This compound is commonly used in the pharmaceutical industry for the synthesis of various biologically active molecules. Its presence of a chloro group and a methoxy group on the thiophene ring allows for selective functionalization at specific positions, making it valuable in the creation of complex molecular structures. Additionally, the carboxylic acid moiety enables easy derivatization and lends itself well to coupling reactions in peptide synthesis and drug development. Overall, 5-Chloro-4-methoxythiophene-3-carboxylic acid plays a crucial role in the creation of new chemical entities with potential pharmacological applications.