CAS
30273-42-8 Purity
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30273-42-8 Purity
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Specification
The molecular formula is C7H5BrF3N.
The molecular weight is 240.02 g/mol.
The IUPAC name is 4-bromo-3-(trifluoromethyl)aniline.
The InChI is InChI=1S/C7H5BrF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2.
The InChIKey is YGNISOAUPSJDJE-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1N)C(F)(F)F)Br.
The CAS number is 393-36-2.
The European Community (EC) number is 206-885-1.
The DSSTox Substance ID is DTXSID50192540.
Yes, the compound is canonicalized.