[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid(SALTDATA


Chemical Name: [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid(SALTDATA
CAS Number: 333309-21-0
Product Number: AG00C8YD(AGN-PC-0WB5LN)
Synonyms:
MDL No: MFCD02732814
Molecular Formula: C10H11F3N2O2
Molecular Weight: 248.2017

Identification/Properties


Computed Properties
Molecular Weight:
248.2g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
248.077262g/mol
Monoisotopic Mass:
248.077262g/mol
Topological Polar Surface Area:
55.1Ų
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
308
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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Chemical Structure



The compound 2-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetic acid, known for its diverse applications in chemical synthesis, serves as a valuable building block in organic chemistry. It is frequently utilized as a key intermediate for the synthesis of various pharmaceuticals, agrochemicals, and materials due to its unique structural features and functional groups. This compound's trifluoromethyl moiety imparts significant properties, enhancing the target molecules' biological activity or physical characteristics.In chemical synthesis, 2-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetic acid acts as a versatile precursor, participating in a variety of reactions such as condensation, acylation, and derivatization. Its presence can facilitate the introduction of fluorine atoms into organic frameworks, a valuable modification for enhancing molecular stability and altering physicochemical properties.Additionally, this compound's indazole ring structure provides a unique scaffold for further functionalization, enabling the creation of diverse molecular structures with tailored properties. Its incorporation into complex molecules can lead to the development of novel compounds with potential applications in drug discovery, materials science, and other fields requiring advanced chemical synthesis strategies.