6-Benzothiazolecarboxylic acid, 2-bromo-4-fluoro-, methyl ester


Chemical Name: 6-Benzothiazolecarboxylic acid, 2-bromo-4-fluoro-, methyl ester
CAS Number: 924287-65-0
Product Number: AG00IMNH(AGN-PC-0BVO2P)
Synonyms:
MDL No:
Molecular Formula: C9H5BrFNO2S
Molecular Weight: 290.1089

Identification/Properties


Computed Properties
Molecular Weight:
290.106g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
288.921g/mol
Monoisotopic Mass:
288.921g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
269
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



Methyl 2-bromo-4-fluorobenzo[d]thiazole-6-carboxylate is a versatile compound that plays a crucial role in chemical synthesis, particularly in the pharmaceutical and agrochemical industries. This compound serves as a valuable building block for the synthesis of various heterocyclic compounds due to its unique structural properties. By incorporating Methyl 2-bromo-4-fluorobenzo[d]thiazole-6-carboxylate into organic reactions, chemists can access a wide array of novel molecules with diverse applications. Its use in the construction of complex molecular frameworks showcases its significance in the realm of synthetic chemistry, offering opportunities for the development of new pharmaceuticals, agrochemicals, and materials with potential biomedical and agricultural benefits.