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956576-81-1

956576-81-1 structural image
Product Name: 4-Allyl-5-[1-(2,5-dichlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
Formula: C13H13Cl2N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 330.2 g/mol
XLogP3 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 329.0156386 g/mol
Monoisotopic Mass 329.0156386 g/mol
Topological Polar Surface Area 69 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 418
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