CAS
921613-17-4 Purity
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921613-17-4 Purity
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Specification
The molecular formula is C14H10ClNOS.
The IUPAC name is 5-chloro-2-(4-methoxyphenyl)-1,3-benzothiazole.
The molecular weight is 275.8 g/mol.
The Canonical SMILES notation is COC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl.
The InChIKey is WWTPXFOVXNWHQY-UHFFFAOYSA-N.
The CAS number is 92161-46-1.
The XLogP3 value is 4.9.
The compound has 0 hydrogen bond donor counts.
The topological polar surface area is 50.4 A^2.
Yes, the compound is canonicalized according to PubChem.