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928-46-1

928-46-1 structural image
Product Name: thioacetic acid S-(3-broMopropyl) ester
Formula: C5H9BrOS
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COMPUTED DESCRIPTORS

Molecular Weight 197.10 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 195.95575 g/mol
Monoisotopic Mass 195.95575 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 74.8
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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