CAS
121219-03-2 Purity
98%+
121219-03-2 Purity
98%+
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The molecular formula is C6H3BrF3N.
The molecular weight is 225.99 g/mol.
The IUPAC name is 6-bromo-2,3,4-trifluoroaniline.
The InChI is InChI=1S/C6H3BrF3N/c7-2-1-3(8)4(9)5(10)6(2)11/h1H,11H2.
The InChIKey is AKJNEERVRJOBPD-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(C(=C(C(=C1Br)N)F)F)F.
The CAS number is 122375-82-0.
The DSSTox Substance ID is DTXSID80350792.
Yes, 6-Bromo-2,3,4-trifluoroaniline is canonicalized.