CAS
690632-00-9 Purity
96%
690632-00-9 Purity
96%
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The molecular formula is C8H6BrFO2.
The molecular weight is 233.03 g/mol.
The IUPAC name is 2-(5-bromo-2-fluorophenyl)acetic acid.
The InChI is InChI=1S/C8H6BrFO2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12).
The InChIKey is WSWMCZBGQYAYIS-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Br)CC(=O)O)F.
The CAS number is 883514-21-4.
The XLogP3-AA value is 2.2.
Yes, it is canonicalized according to PubChem.