Benzo[b]thiophene-2-carboxylic acid, 5-chloro-


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 5-chloro-
CAS Number: 13771-75-0
Product Number: AG0013RL(AGN-PC-0JXTX9)
Synonyms:
MDL No:
Molecular Formula: C9H5ClO2S
Molecular Weight: 212.6528

Identification/Properties


Computed Properties
Molecular Weight:
212.647g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
211.97g/mol
Monoisotopic Mass:
211.97g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
222
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

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback


Chemical Structure



The chemical compound 5-Chlorobenzo[b]thiophene-2-carboxylic acid serves as a versatile building block in organic synthesis, particularly in the pharmaceutical and agrochemical industries. Its unique structure and reactivity make it a valuable intermediate for the synthesis of various biologically active compounds.One key application of 5-Chlorobenzo[b]thiophene-2-carboxylic acid is its use as a precursor in the synthesis of heterocyclic compounds, which are essential in drug discovery and development. By incorporating this compound into chemical reactions, chemists can access a wide range of derivatives with diverse pharmacological activities.Additionally, 5-Chlorobenzo[b]thiophene-2-carboxylic acid can be utilized in the synthesis of specialized materials, such as liquid crystals and dyes. Its structural features contribute to the creation of functional molecules that exhibit specific optical or electronic properties, making it valuable in materials science research.Overall, the strategic incorporation of 5-Chlorobenzo[b]thiophene-2-carboxylic acid in chemical synthesis enables the efficient construction of complex molecules with potential applications in drug development, materials design, and other areas of chemical research.