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Specification
The molecular formula is C10H13ClFNO2.
The PubChem CID is 45595313.
The molecular weight is 233.67 g/mol.
The parent compound is CID 43803168 (2-(Dimethylamino)-2-(3-fluorophenyl)acetic acid).
The component compounds are CID 43803168 (2-(Dimethylamino)-2-(3-fluorophenyl)acetic acid) and CID 313 (Hydrochloric Acid).
The IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)acetic acid;hydrochloride.
The InChI is InChI=1S/C10H12FNO2.ClH/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7;/h3-6,9H,1-2H3,(H,13,14);1H.
The InChIKey is OCTKRZXORYYRHO-UHFFFAOYSA-N.
The canonical SMILES is CN(C)C(C1=CC(=CC=C1)F)C(=O)O.Cl.
Yes, the compound is canonicalized.