914219-87-7 Purity
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Specification
The molecular formula is C8H13Cl2NO.
The synonyms are AKOS015962702 and (E)-4-(Pyrrolidin-1-yl)but-2-enoyl chloride hydrochloride.
The molecular weight is 210.10 g/mol.
The parent compound is CID 29923558 ((E)-4-(pyrrolidin-1-yl)but-2-enoyl chloride).
The component compounds are Hydrochloric Acid (CID 313) and CID 29923558 ((E)-4-(pyrrolidin-1-yl)but-2-enoyl chloride).
The IUPAC name is (E)-4-pyrrolidin-1-ylbut-2-enoyl chloride;hydrochloride.
The InChI is InChI=1S/C8H12ClNO.ClH/c9-8(11)4-3-7-10-5-1-2-6-10;/h3-4H,1-2,5-7H2;1H/b4-3+.
The InChIKey is MUFLFKSJIZPDPK-BJILWQEISA-N.
The canonical SMILES is C1CCN(C1)CC=CC(=O)Cl.Cl.
The isomeric SMILES is C1CCN(C1)C/C=C/C(=O)Cl.Cl.