CAS
77992-44-0 Purity
98%
77992-44-0 Purity
98%
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The molecular formula is C8H5BrF2O2.
The molecular weight is 251.02 g/mol.
The IUPAC name is 2-(2-bromo-4,5-difluorophenyl)acetic acid.
The InChI is InChI=1S/C8H5BrF2O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13).
The InChIKey is FQSLXVRCDYUESO-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=CC(=C1F)F)Br)CC(=O)O.
The CAS number is 883502-07-6.
The European Community (EC) Number is 689-074-9.
The XLogP3-AA value is 2.3.
Yes, 2-Bromo-4,5-difluorophenylacetic acid is canonicalized.