1,2-Benzisothiazol-3(2H)-one, 2-(4-methylphenyl)-


Chemical Name: 1,2-Benzisothiazol-3(2H)-one, 2-(4-methylphenyl)-
CAS Number: 2514-30-9
Product Number: AG00BJJI(AGN-PC-0JY9HM)
Synonyms:
MDL No:
Molecular Formula: C14H11NOS
Molecular Weight: 241.3082

Identification/Properties


Computed Properties
Molecular Weight:
241.308g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
241.056g/mol
Monoisotopic Mass:
241.056g/mol
Topological Polar Surface Area:
45.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
299
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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