CAS
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Specification
The molecular formula is C6H2Cl2N2O3S.
The molecular weight is 253.06 g/mol.
The IUPAC name is 5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride.
The InChI is InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4-5(10-13-9-4)6(3)14(8,11)12/h1-2H.
The InChIKey is ZFBZICACMDZKNQ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=NON=C2C(=C1Cl)S(=O)(=O)Cl.
The CAS number is 175203-78-8.
The EC number is 672-959-9.
The monoisotopic mass is 251.9163185 g/mol.
Yes, the compound is canonicalized.