CAS
98516-76-8 Purity
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98516-76-8 Purity
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1-((2-(2-Benzofuranyl)-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole monoh ydrochloride
CAS
98518-98-0
Catalog Number
ACM98518980
Category
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What is the molecular formula of the compound with PubChem CID 3062581?
The molecular formula is C15H16ClN3O3.
What is the molecular weight of the compound?
The molecular weight is 321.76 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;hydrochloride.
What is the InChIKey of the compound?
The InChIKey is SDIPTCBXBABUAN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 62.3 Å^2.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound's canonical SMILES Cl-covalently bonded?
Yes, the compound's canonical SMILES shows the Cl covalently bonded.
What is the isotope atom count of the compound?
The isotope atom count is 0.
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