CAS
694-80-4 Purity
98%
694-80-4 Purity
98%
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The molecular formula is C10H9BrO.
The molecular weight is 225.08 g/mol.
The IUPAC name is (4-bromophenyl)-cyclopropylmethanone.
The InChI is InChI=1S/C10H9BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2.
The InChIKey is QTHHOINSCNBYQO-UHFFFAOYSA-N.
The canonical SMILES is C1CC1C(=O)C2=CC=C(C=C2)Br.
The CAS number is 6952-89-2.
The European Community (EC) number is 230-130-5.
The DSSTox Substance ID is DTXSID80219774.
Yes, it is a canonicalized compound.