351003-43-5 Purity
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Specification
The molecular formula is C9H7BrO4.
The molecular weight is 259.05 g/mol.
(2-Bromo-4-formylphenoxy)acetic acid was created on July 9, 2005.
(2-Bromo-4-formylphenoxy)acetic acid was last modified on November 25, 2023.
The IUPAC name is 2-(2-bromo-4-formylphenoxy)acetic acid.
The InChI is InChI=1S/C9H7BrO4/c10-7-3-6(4-11)1-2-8(7)14-5-9(12)13/h1-4H,5H2,(H,12,13).
The InChIKey is PGUJGPKJZJCFJB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1C=O)Br)OCC(=O)O.
The XLogP3 value is 1.7.
(2-Bromo-4-formylphenoxy)acetic acid has 1 hydrogen bond donor count.