2,1,3-Benzoxadiazole-5-carbonyl chloride


Chemical Name: 2,1,3-Benzoxadiazole-5-carbonyl chloride
CAS Number: 126147-86-2
Product Number: AG000RSA(AGN-PC-0KK73Y)
Synonyms:
MDL No:
Molecular Formula: C7H3ClN2O2
Molecular Weight: 182.5639

Identification/Properties


Computed Properties
Molecular Weight:
182.563g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
181.988g/mol
Monoisotopic Mass:
181.988g/mol
Topological Polar Surface Area:
56A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
200
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



2,1,3-Benzoxadiazole-5-carbonyl chloride, a versatile compound widely used in chemical synthesis, serves as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and organic materials. Its high reactivity and selectivity make it an essential building block in the development of complex molecular structures. By functionalizing the carbonyl chloride moiety, researchers have been able to access a wide range of derivatives with diverse properties and applications. This compound plays a crucial role in the creation of novel compounds with potential biological activities and material properties, making it a valuable tool in the field of organic chemistry.