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The molecular formula is C6H3IN2S.
The molecular weight is 262.07 g/mol.
The IUPAC name is 4-iodo-2,1,3-benzothiadiazole.
The InChI is InChI=1S/C6H3IN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H.
The InChIKey is ROPRWVSWECJQIC-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=NSN=C2C(=C1)I.
The CAS number is 352018-95-2.
The DSSTox Substance ID is DTXSID10379956.
The Nikkaji Number is J2.941.454H.
Yes, 4-iodo-2,1,3-benzothiadiazole is considered a canonicalized compound.
3-Chlorothieno[2,3-b]thiophene-2-carboxylic acid
2,1,3-Benzoxadiazole-4-sulfonyl chloride
(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
(6-Chloro-imidazo[2,1-b]thiazol-5-yl)-methanol
5-Bromo-2,1,3-benzoxadiazole
4-Bromo-2,1,3-benzothiadiazole
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