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886361-99-5

886361-99-5 structural image
Product Name: 2-(2,5-DICHLOROPHENYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
Formula: C15H11Cl2NOS
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COMPUTED DESCRIPTORS

Molecular Weight 324.2 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 322.9938405 g/mol
Monoisotopic Mass 322.9938405 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 368
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