CAS
2457-48-9 Purity
98%
2457-48-9 Purity
98%
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Specification
The molecular formula is C7H2BrF5.
The molecular weight is 260.99 g/mol.
The IUPAC name is 1-bromo-2,4-difluoro-5-(trifluoromethyl)benzene.
The InChI is InChI=1S/C7H2BrF5/c8-4-1-3(7(11,12)13)5(9)2-6(4)10/h1-2H.
The InChIKey is JSXBNFYUPDSZIN-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=CC(=C1Br)F)F)C(F)(F)F.
The CAS number is 261945-71-5.
The European Community (EC) number is 816-470-2.
The XLogP3 value is 3.9.
Yes, it is a canonicalized compound.