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194222-44-1

194222-44-1 structural image
Product Name: 8 - Azoniabicyclo[3.2.1]oct - 6 - ene, 3 - [(2 - hydroxy - 2,2 - di - 2 - thienylacetyl)oxy] - 8,8 - diMethyl - , broMide
Formula: C19H22BrNO3S2
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COMPUTED DESCRIPTORS

Molecular Weight 456.4 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 455.02245 g/mol
Monoisotopic Mass 455.02245 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 531
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes