82702-31-6 Purity
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The molecular formula of 2-Chloro-4,6-dibromobenzothiazole is C7H2Br2ClNS.
The molecular weight of 2-Chloro-4,6-dibromobenzothiazole is 327.42 g/mol.
The IUPAC name of 2-Chloro-4,6-dibromobenzothiazole is 4,6-dibromo-2-chloro-1,3-benzothiazole.
The InChI of 2-Chloro-4,6-dibromobenzothiazole is InChI=1S/C7H2Br2ClNS/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H.
The InChIKey of 2-Chloro-4,6-dibromobenzothiazole is ICDJWAROGHMGPR-UHFFFAOYSA-N.
The canonical SMILES of 2-Chloro-4,6-dibromobenzothiazole is C1=C(C=C(C2=C1SC(=N2)Cl)Br)Br.
The CAS number of 2-Chloro-4,6-dibromobenzothiazole is 1188141-65-2.
The DSSTox Substance ID of 2-Chloro-4,6-dibromobenzothiazole is DTXSID50733735.
Yes, 2-Chloro-4,6-dibromobenzothiazole is a canonicalized compound.