CAS
141474-37-5 Purity
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141474-37-5 Purity
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The molecular formula is C9H9BrO2.
The molecular weight is 229.07 g/mol.
The IUPAC name is 2-[4-(bromomethyl)phenyl]acetic acid.
The InChIKey is WCOCCXZFEJGHTC-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC=C1CC(=O)O)CBr.
The CAS number is 13737-36-5.
The XLogP3 value is 2.1.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.
The topological polar surface area is 37.3Ų.