CAS
616-24-0 Purity
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616-24-0 Purity
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Specification
The molecular formula is C7H4Cl2F3N.
The molecular weight is 230.01 g/mol.
The IUPAC name is 2,4-dichloro-6-(trifluoromethyl)aniline.
The InChI is InChI=1S/C7H4Cl2F3N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2.
The InChIKey is OCJPQZFOBGQYEA-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1C(F)(F)F)N)Cl)Cl.
The CAS number is 62593-17-3.
The EC number is 622-334-1.
The XLogP3-AA value is 3.4.
Yes, it is a canonicalized compound.