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852180-46-2

852180-46-2 structural image
Product Name: 5-ISOCYANATO-4-METHYL-2-PHENYL-1,3-THIAZOLE
Formula: C11H8N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 216.26 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 216.03573406 g/mol
Monoisotopic Mass 216.03573406 g/mol
Topological Polar Surface Area 70.6 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 259
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