CAS
97073-03-5 Purity
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97073-03-5 Purity
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Specification
The molecular formula is C7H6ClNO4S.
The molecular weight is 235.65 g/mol.
The IUPAC name is 1-chloro-4-methylsulfonyl-2-nitrobenzene.
The InChI is InChI=1S/C7H6ClNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3.
The InChIKey is JAANTSGNTKWLFA-UHFFFAOYSA-N.
The canonical SMILES is CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-].
The CAS number is 97-07-4.
The EC number is 202-557-7.
The UNII is 2CL5F050J7.