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115897-54-6

115897-54-6 structural image
Product Name: 2-(2,4-DICHLOROPHENYL)-2-(1,2,4-TRIAZOL-1-YL METHYL)-1,3-DIOXALANE-4-YL METHYL METHANE SULFONATE
Formula: C14H15Cl2N3O5S
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COMPUTED DESCRIPTORS

Molecular Weight 408.3 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 407.0109471 g/mol
Monoisotopic Mass 407.0109471 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 563
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes