CAS
5391-88-8 Purity
96%
5391-88-8 Purity
96%
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Specification
The molecular formula is C8H5BrO.
The molecular weight is 197.03 g/mol.
The IUPAC name is 2-bromo-1-benzofuran.
The InChI is InChI=1S/C8H5BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H.
The InChIKey is RNEOFIVNTNLSEH-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C2C(=C1)C=C(O2)Br.
The CAS number is 54008-77-4.
The European Community (EC) number is 830-348-6.
The ChEMBL ID is CHEMBL3358222.
Yes, 2-Bromo-1-benzofuran is a canonicalized compound.