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21358-13-4

21358-13-4 structural image
Product Name: 5-PHENOXYMETHYL-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula: C15H13N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 283.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 283.07793322 g/mol
Monoisotopic Mass 283.07793322 g/mol
Topological Polar Surface Area 69 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 373
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