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568577-86-6

568577-86-6 structural image
Product Name: 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBONYL CHLORIDE HYDROCHLORIDE
Formula: C12H12Cl2N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 303.2 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 302.0047396 g/mol
Monoisotopic Mass 302.0047396 g/mol
Topological Polar Surface Area 60.2 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 271
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 2
Compound Is Canonicalized Yes