1,2-Benzisothiazol-3(2H)-one, 2-butyl-


Chemical Name: 1,2-Benzisothiazol-3(2H)-one, 2-butyl-
CAS Number: 4299-07-4
Product Number: AG0039XK(AGN-PC-0MUBZY)
Synonyms:
MDL No:
Molecular Formula: C11H13NOS
Molecular Weight: 207.2920

Identification/Properties


Computed Properties
Molecular Weight:
207.291g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
207.072g/mol
Monoisotopic Mass:
207.072g/mol
Topological Polar Surface Area:
45.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
219
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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