CAS
181765-86-6 Purity
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181765-86-6 Purity
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Specification
The molecular formula is C8H9BrClN.
The molecular weight is 234.52 g/mol.
The IUPAC name is 6-bromo-2,3-dihydro-1H-indole;hydrochloride.
The InChI is InChI=1S/C8H8BrN.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-2,5,10H,3-4H2;1H.
The InChIKey is VFCCBOIKVPGOJJ-UHFFFAOYSA-N.
The canonical SMILES is C1CNC2=C1C=CC(=C2)Br.Cl.
The CAS number is 1187933-30-7.
The EC number is 692-978-6.
Yes, it is a canonicalized compound.