94624-14-3 Purity
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Specification
The molecular formula is C6H3ClNNaO5S.
The molecular weight is 259.60 g/mol.
The IUPAC name is sodium;2-chloro-5-nitrobenzenesulfonate.
The InChIKey is OUERFXCJVYJQJO-UHFFFAOYSA-M.
The canonical SMILES is C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])Cl.[Na+].
The CAS number is 946-30-5.
The European Community (EC) Number is 213-418-5.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 5.
Yes, sodium 2-chloro-5-nitrobenzenesulfonate is a canonicalized compound.