108485-13-8 Purity
96%
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Specification
The molecular formula is C9H6BrNO2.
The molecular weight is 240.05 g/mol.
The IUPAC name is 7-bromo-5-methyl-1H-indole-2,3-dione.
The InChI is InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13).
The InChIKey is NPDJRIGMWAQKTQ-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC2=C(C(=C1)Br)NC(=O)C2=O.
The CAS number is 108938-16-5.
The European Community (EC) number is 808-771-2.
The ChEMBL ID is CHEMBL3128208.
Yes, 7-Bromo-5-methylindoline-2,3-dione is a canonicalized compound.