CAS
881-50-5 Purity
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881-50-5 Purity
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Specification
The molecular formula is C6H4BrF3N2.
The molecular weight is 241.01 g/mol.
The IUPAC name is 5-bromo-6-(trifluoromethyl)pyridin-2-amine.
The InChI is InChI=1S/C6H4BrF3N2/c7-3-1-2-4(11)12-5(3)6(8,9)10/h1-2H,(H2,11,12).
The InChIKey is DNDAEASRGBLZCN-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=NC(=C1Br)C(F)(F)F)N.
The CAS number is 882500-21-2.
The EC number is 860-304-1.
The XLogP3-AA value is 2.1.
Yes, it is a canonicalized compound.