Benzo[b]thiophene-2-carboxylic acid, 7-chloro-


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 7-chloro-
CAS Number: 90407-16-2
Product Number: AG00GSWA(AGN-PC-0N0G0A)
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



7-Chlorobenzo[b]thiophene-2-carboxylic acid is a versatile compound commonly employed in chemical synthesis for a variety of applications. This compound serves as a key building block in the production of pharmaceuticals, agrochemicals, and materials science. Through strategic manipulation of its structure, chemists can access a wide range of derivatives with specific properties and functionalities. In organic synthesis, 7-Chlorobenzo[b]thiophene-2-carboxylic acid often serves as a core unit in the synthesis of heterocyclic compounds, which are essential in drug discovery and development. Its incorporation into molecules can confer desirable features such as improved biological activity, stability, or solubility. Additionally, this compound is a valuable intermediate in the synthesis of ligands for catalysts, enabling efficient and selective transformations in complex chemical reactions. Overall, the application of 7-Chlorobenzo[b]thiophene-2-carboxylic acid in chemical synthesis plays a crucial role in advancing various scientific fields and driving innovation in the creation of new materials and compounds.