CAS
91426-46-9 Purity
96%
91426-46-9 Purity
96%
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Specification
The molecular formula is C11H13ClO5S.
It was created on October 30, 2011.
The IUPAC name is ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate.
The InChI is InChI=1S/C11H13ClO5S/c1-3-16-11(13)7-17-9-5-4-6-10(8(9)2)18(12,14)15/h4-6H,3,7H2,1-2H3.
The InChIKey is BPYXVPOLVBLNQJ-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)COC1=C(C(=CC=C1)S(=O)(=O)Cl)C.
The molecular weight is 292.74 g/mol.
The XLogP3-AA value is 2.6.
It has 0 hydrogen bond donor counts.
It has 6 rotatable bond counts.