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Specification
The molecular formula of the compound is C13H12ClNO.
The molecular weight of the compound is 233.69 g/mol.
The IUPAC name of the compound is 4-[(4-chlorophenyl)methoxy]aniline.
The InChI of the compound is InChI=1S/C13H12ClNO/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9,15H2.
The InChIKey of the compound is ISKGMPXNIRIOQC-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=CC=C1COC2=CC=C(C=C2)N)Cl.
The CAS number of the compound is 34762-56-6.
The European Community (EC) number of the compound is 815-251-9.
The XLogP3-AA value of the compound is 3.3.
Yes, the compound is canonicalized.