CAS
95522-45-5 Purity
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95522-45-5 Purity
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Specification
The molecular formula is C6H2BrF3N2O2.
The molecular weight is 270.99 g/mol.
The IUPAC name is 2-bromo-5-nitro-3-(trifluoromethyl)pyridine.
The InChI is InChI=1S/C6H2BrF3N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H.
The InChIKey is WHTGDIMWBUVWJS-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=NC(=C1C(F)(F)F)Br)[N+](=O)[O-].
The CAS number is 956104-42-0.
The XLogP3-AA value is 2.6.
Yes, it is a canonicalized compound.