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1092289-59-2

1092289-59-2 structural image
Product Name: ethyl 4-cyano-3-methylisothiazol-5-ylcarbamate
Formula: C8H9N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 211.24 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 211.04154771 g/mol
Monoisotopic Mass 211.04154771 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 263
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