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887354-05-4

887354-05-4 structural image
Product Name: 4-(CHLOROMETHYL)BENZYL METHANETHIOSULFONATE
Formula: C9H11ClO2S2
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COMPUTED DESCRIPTORS

Molecular Weight 250.8 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 249.9888996 g/mol
Monoisotopic Mass 249.9888996 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 266
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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