CAS
99474-02-9 Purity
96%
99474-02-9 Purity
96%
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Specification
The molecular formula is C7H4Cl2F3NS.
The molecular weight is 262.08 g/mol.
The IUPAC name is 2,6-dichloro-4-(trifluoromethylsulfanyl)aniline.
The InChI is InChI=1S/C7H4Cl2F3NS/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2.
The InChIKey is JDWPTDLYCZOZOJ-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(C=C(C(=C1Cl)N)Cl)SC(F)(F)F.
The CAS number is 99479-65-9.
The XLogP3 value is 4.8.
It has 1 hydrogen bond donor count.
Yes, it is a canonicalized compound.