Benzoic acid, 2-chloro-5-(fluorosulfonyl)-


Chemical Name: Benzoic acid, 2-chloro-5-(fluorosulfonyl)-
CAS Number: 21346-66-7
Product Number: AG0072OD(AGN-PC-0JLXPO)
Synonyms:
MDL No:
Molecular Formula: C7H4ClFO4S
Molecular Weight: 238.6207

Identification/Properties


Computed Properties
Molecular Weight:
238.613g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
237.95g/mol
Monoisotopic Mass:
237.95g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
323
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



2-Chloro-5-(fluorosulfonyl)benzoic acid, also known as $name$, is a versatile compound frequently employed in chemical synthesis for its unique properties. This specialized acid serves as a crucial building block in the creation of various pharmaceuticals and agrochemicals due to its ability to undergo significant chemical reactions. With its specific molecular structure, $name$ plays a pivotal role in the formation of complex molecules, enabling the synthesis of compounds with enhanced biological activities. In the realm of chemical synthesis, this compound is utilized to introduce fluorine-containing functional groups, a key feature in the design of novel organic molecules with desired properties. Its application extends to the creation of advanced materials and specialty chemicals, where precision and control over molecular structure are paramount. In summary, 2-Chloro-5-(fluorosulfonyl)benzoic acid is a critical component in the realm of chemical synthesis, facilitating the development of diverse compounds with important industrial and scientific applications.