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The molecular formula of the compound is C12H16ClN.
The molecular weight of the compound is 209.71 g/mol.
The IUPAC name of the compound is (E)-3-chloro-N-(1-phenylethyl)but-2-en-1-amine.
The InChI of the compound is InChI=1S/C12H16ClN/c1-10(13)8-9-14-11(2)12-6-4-3-5-7-12/h3-8,11,14H,9H2,1-2H3/b10-8+.
The InChIKey of the compound is KLLJRHWVXBUIJY-CSKARUKUSA-N.
The canonical SMILES of the compound is CC(C1=CC=CC=C1)NCC=C(C)Cl.
The isomeric SMILES of the compound is CC(C1=CC=CC=C1)NC/C=C(\C)/Cl.
The ChEMBL ID of the compound is CHEMBL1616676.
The XLogP3-AA value of the compound is 3.
Yes, the compound is canonicalized.
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