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96413-13-7

96413-13-7 structural image
Product Name: N'-(2-chloroethyl)-N-(2-(methylsulfinyl)ethyl)-N'-nitrosourea
Formula: C6H12ClN3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 241.70 g/mol
XLogP3 0
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 241.0287901 g/mol
Monoisotopic Mass 241.0287901 g/mol
Topological Polar Surface Area 98 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 226
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