2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-


Chemical Name: 2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-
CAS Number: 129050-20-0
Product Number: AG003N7J(AGN-PC-00P2GZ)
Synonyms:
MDL No:
Molecular Formula: C10H9FO3
Molecular Weight: 196.1751

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
196.177g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
196.054g/mol
Monoisotopic Mass:
196.054g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
231
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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



6-Fluorochromane-2-carboxylic acid is a versatile compound widely utilized in chemical synthesis as a key building block for the creation of various pharmaceuticals, agrochemicals, and advanced materials. This compound serves as a valuable intermediate in organic chemistry reactions, particularly in the formation of heterocyclic compounds due to its unique structure and reactivity.In chemical synthesis, 6-Fluorochromane-2-carboxylic acid can be employed to introduce fluorine atoms into target molecules, which often leads to enhanced biological activity and improved properties of the final products. Its fluorine substitution pattern allows for the modulation of molecular interactions and binding affinities, making it a valuable tool in drug discovery and development processes.Furthermore, the presence of the chromane ring in this compound provides opportunities for diversification through functional group transformations, allowing chemists to access a wide range of structural variations and analogs for screening and optimization purposes. This versatility makes 6-Fluorochromane-2-carboxylic acid a valuable asset in the arsenal of synthetic chemists aiming to design novel compounds with tailored properties and improved performance in various applications.