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The molecular formula is C9H7BrO4.
The molecular weight is 259.05 g/mol.
The IUPAC name is 4-bromo-2-(carboxymethyl)benzoic acid.
The InChI is InChI=1S/C9H7BrO4/c10-6-1-2-7(9(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)(H,13,14).
The InChIKey is WDKVNGVXRHWUEQ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Br)CC(=O)O)C(=O)O.
The CAS number is 943749-63-1.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
943736-58-1
943736-61-6
94374-28-4
943751-93-7
943752-32-7
94375-42-5
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