AC1MI3ZQ structure

AC1MI3ZQ

1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;hydrochloride

Also Known As: 1-((2-1h-1,2,4-triazolemonohydrochloride|1-((2- -1H-1,2,4-triazolemonohydrochloride|1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-, monohydrochloride|1-((2-(2-Benzofuranyl)-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole monohydrochloride|1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole hydrochloride|1-{[2-(1-Benzofuran-2-yl)-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole--hydrogen chloride (1/1)

CAS: 98518-98-0
Molecular Formula C15H16ClN3O3
Molecular Weight 321.088 g/mol
LogP 2.736
Topological Polar Surface Area 62.31 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 321.088
Monoisotopic Mass 321.088
Heavy Atoms 22
Complexity 702.4232

Chemical Identifiers

CAS Number 98518-98-0
SMILES C1COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3.Cl

Product Overview

AC1MI3ZQ (CAS 98518-98-0), with molecular formula C15H16ClN3O3 and molecular weight 321.088 g/mol. IUPAC: 1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;hydrochloride.

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