CAS
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Specification
The molecular formula is C10H9BrO4.
The molecular weight is 273.08 g/mol.
The IUPAC name is 2-(4-bromo-2-formylphenoxy)propanoic acid.
The InChI is InChI=1S/C10H9BrO4/c1-6(10(13)14)15-9-3-2-8(11)4-7(9)5-12/h2-6H,1H3,(H,13,14).
The InChIKey is RWXQZBNVNBRZCH-UHFFFAOYSA-N.
The canonical SMILES is CC(C(=O)O)OC1=C(C=C(C=C1)Br)C=O.
The CAS number is 171347-47-0.
The XLogP3 value is 2.3.
It has 1 hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.