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551899-66-2

551899-66-2 structural image
Product Name: 2-CHLORO-N-(3-CYANO-6-ETHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)ACETAMIDE
Formula: C13H15ClN2OS
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COMPUTED DESCRIPTORS

Molecular Weight 282.79 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 282.0593620 g/mol
Monoisotopic Mass 282.0593620 g/mol
Topological Polar Surface Area 81.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 367
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