CAS
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Specification
The molecular formula is C8H5BrF4.
The molecular weight is 257.02 g/mol.
The IUPAC name is 2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene.
The InChI is InChI=1S/C8H5BrF4/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2.
The InChIKey is BYRMZRWUEAESEZ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1C(F)(F)F)CBr)F.
The CAS number is 220239-69-0.
The European Community (EC) number is 671-098-6.
The DSSTox Substance ID is DTXSID40372152.
The XLogP3-AA value is 3.5.