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98072-21-0

98072-21-0 structural image
Product Name: isopropyl 9,10-bis(chlorothio)octadecanoate
Formula: C21H40Cl2O2S2
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COMPUTED DESCRIPTORS

Molecular Weight 459.6 g/mol
XLogP3 9.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 18
Exact Mass 458.1846782 g/mol
Monoisotopic Mass 458.1846782 g/mol
Topological Polar Surface Area 76.9 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 344
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 1
Compound Is Canonicalized Yes