CAS
934-05-4 Purity
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934-05-4 Purity
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The molecular formula is C8H7BrO2.
The molecular weight is 215.04 g/mol.
The IUPAC name is 5-bromo-2-methoxybenzaldehyde.
The InChI is InChI=1S/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3.
The InChIKey is IJIBRSFAXRFPPN-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=C(C=C1)Br)C=O.
The CAS number is 25016-01-7.
The European Community (EC) number is 246-564-3.
The DSSTox Substance ID is DTXSID10179716.
Yes, 5-Bromo-2-methoxybenzaldehyde is a canonicalized compound.