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98519-02-9

98519-02-9 structural image
Product Name: 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-(propoxymethy l)-1,3-dioxolan-2-yl)methyl)-, cis-
Formula: C18H19Cl2N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 412.3 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 411.0752615 g/mol
Monoisotopic Mass 411.0752615 g/mol
Topological Polar Surface Area 71.5 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 505
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes