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Specification
The molecular formula is C10H13ClFNO2.
The molecular weight is 233.67 g/mol.
The IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)acetic acid;hydrochloride.
The InChI is InChI=1S/C10H12FNO2.ClH/c1-12(2)9(10(13)14)7-3-5-8(11)6-4-7;/h3-6,9H,1-2H3,(H,13,14);1H.
The InChIKey is QGJCHMPPRDFDBX-UHFFFAOYSA-N.
The Canonical SMILES is CN(C)C(C1=CC=C(C=C1)F)C(=O)O.Cl.
The CAS number is 1255716-97-2.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
The topological polar surface area is 40.5Ų.