CAS
98518-10-6 Purity
98 %
98518-10-6 Purity
98 %
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1H-1,2,4-Triazole,1-((2-(5,7-dichloro-2-benzofuranyl)-4-(propoxymethy l)-1,3-dioxolan-2-yl)methyl)-,cis-
CAS
98519-02-9
Catalog Number
ACM98519029
Category
Other Products
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What is the molecular formula of the compound?
The molecular formula of the compound is C18H19Cl2N3O4.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-[[(2R,4S)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-(propoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
What is the molecular weight of the compound?
The molecular weight of the compound is 412.3 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C18H19Cl2N3O4/c1-2-3-24-7-14-8-25-18(27-14,9-23-11-21-10-22-23)16-5-12-4-13(19)6-15(20)17(12)26-16/h4-6,10-11,14H,2-3,7-9H2,1H3/t14-,18+/m0/s1.
What is the InChIKey of the compound?
The InChIKey of the compound is ZPKOPYYIUZGNMZ-KBXCAEBGSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCCOCC1COC(O1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl.
What is the isomeric SMILES of the compound?
The isomeric SMILES of the compound is CCCOC[C@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.4.
How many hydrogen bond donors are in the compound?
There are 0 hydrogen bond donors in the compound.
How many hydrogen bond acceptors are in the compound?
There are 6 hydrogen bond acceptors in the compound.
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