CAS
6780-49-0 Purity
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6780-49-0 Purity
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Specification
The molecular formula is C4H9ClO3S.
The molecular weight is 172.63 g/mol.
The IUPAC name is 3-methoxypropane-1-sulfonyl chloride.
The InChI is InChI=1S/C4H9ClO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3.
The InChIKey is QERBKLODENVLBY-UHFFFAOYSA-N.
The canonical SMILES is COCCCS(=O)(=O)Cl.
The CAS number is 64297-55-8.
The EC number is 806-247-8.
The XLogP3-AA value is 0.6.
Yes, 3-Methoxypropane-1-sulfonyl chloride is canonicalized.