CAS
955-96-4 Purity
96%
955-96-4 Purity
96%
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The molecular formula is C9H7BrN2O.
The molecular weight is 239.07 g/mol.
The IUPAC name is 4-bromo-1H-indole-2-carboxamide.
The InChI is InChI=1S/C9H7BrN2O/c10-6-2-1-3-7-5(6)4-8(12-7)9(11)13/h1-4,12H,(H2,11,13).
The InChIKey is JLDSQMKXKAUVBR-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC2=C(C=C(N2)C(=O)N)C(=C1)Br.
The CAS number is 955978-73-1.
The European Community (EC) number is 822-558-1.
The XLogP3-AA value is 1.9.
Yes, it is canonicalized.