97511-05-2 Purity
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The molecular formula of 3-Bromophenylacetic acid is C8H7BrO2.
The molecular weight of 3-Bromophenylacetic acid is 215.04 g/mol.
The IUPAC name of 3-Bromophenylacetic acid is 2-(3-bromophenyl)acetic acid.
The InChI of 3-Bromophenylacetic acid is InChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11).
The InChIKey of 3-Bromophenylacetic acid is KYNNBXCGXUOREX-UHFFFAOYSA-N.
The canonical SMILES of 3-Bromophenylacetic acid is C1=CC(=CC(=C1)Br)CC(=O)O.
The CAS number of 3-Bromophenylacetic acid is 1878-67-7.
The XLogP3 value of 3-Bromophenylacetic acid is 2.4.
Yes, 3-Bromophenylacetic acid is a canonicalized compound.