CAS
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Specification
The molecular formula is C7H5ClF3NO.
The molecular weight is 211.57 g/mol.
The IUPAC name is 3-chloro-4-(trifluoromethoxy)aniline.
The InChI is InChI=1S/C7H5ClF3NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2.
The InChIKey is ZPKUUNGPBSRPRM-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1N)Cl)OC(F)(F)F.
The CAS number is 64628-73-5.
The European Community (EC) number is 641-207-1.
Yes, it is a canonicalized compound.