CAS
17249-80-8 Purity
98%
17249-80-8 Purity
98%
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Specification
The molecular formula is C6H5ClO2S.
The molecular weight is 176.62 g/mol.
The IUPAC name is methyl 5-chlorothiophene-2-carboxylate.
The InChI is InChI=1S/C6H5ClO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3.
The InChIKey is SQVGSFPLDUMEDG-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CC=C(S1)Cl.
The CAS number is 35475-03-7.
The EC number is 850-720-1.
The DSSTox Substance ID is DTXSID90343397.
Yes, Methyl-5-chlorothiophene-2-carboxylate is a canonicalized compound.