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850314-12-4

850314-12-4 structural image
Product Name: 2-tert-Butyl-5-chloroisothiazol-3(2H)-one
Formula: C7H10ClNOS
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COMPUTED DESCRIPTORS

Molecular Weight 191.68 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 191.0171628 g/mol
Monoisotopic Mass 191.0171628 g/mol
Topological Polar Surface Area 45.6 Ų
Heavy Atom Count 11
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