CAS
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Specification
The molecular formula is C11H9BrO.
The molecular weight is 237.09 g/mol.
The IUPAC name is 1-bromo-4-methoxynaphthalene.
The InChI code is InChI=1S/C11H9BrO/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3.
The InChIKey code is XURSAEHRFFSJED-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC=C(C2=CC=CC=C21)Br.
The CAS number is 5467-58-3.
The EC number is 802-059-5.
The DSSTox Substance ID is DTXSID30203128.
Yes, 1-Bromo-4-methoxynaphthalene is considered as a canonicalized compound.