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Specification
The molecular formula of [(4-Fluorobenzyl)thio]acetic acid is C9H9FO2S.
The PubChem CID of [(4-Fluorobenzyl)thio]acetic acid is 776741.
The molecular weight of [(4-Fluorobenzyl)thio]acetic acid is 200.23 g/mol.
[(4-Fluorobenzyl)thio]acetic acid was created on July 8, 2005.
[(4-Fluorobenzyl)thio]acetic acid was last modified on November 25, 2023.
The IUPAC name of [(4-Fluorobenzyl)thio]acetic acid is 2-[(4-fluorophenyl)methylsulfanyl]acetic acid.
The InChI of [(4-Fluorobenzyl)thio]acetic acid is InChI=1S/C9H9FO2S/c10-8-3-1-7(2-4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H,11,12).
The InChIKey of [(4-Fluorobenzyl)thio]acetic acid is ORCMGWGLMCFUIA-UHFFFAOYSA-N.
The Canonical SMILES of [(4-Fluorobenzyl)thio]acetic acid is C1=CC(=CC=C1CSCC(=O)O)F.
Yes, [(4-Fluorobenzyl)thio]acetic acid is a canonicalized compound.