21702-79-4 Purity
96%
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The molecular formula of 2-Bromophenylacetone is C9H9BrO.
The molecular weight of 2-Bromophenylacetone is 213.07 g/mol.
The IUPAC name of 2-Bromophenylacetone is 1-(2-bromophenyl)propan-2-one.
The InChI of 2-Bromophenylacetone is InChI=1S/C9H9BrO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3.
The InChIKey of 2-Bromophenylacetone is TZIAZLUAMDLDJF-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromophenylacetone is CC(=O)CC1=CC=CC=C1Br.
The CAS number of 2-Bromophenylacetone is 21906-31-0.
The XLogP3-AA value of 2-Bromophenylacetone is 2.2.
Yes, 2-Bromophenylacetone is a canonicalized compound according to PubChem.