CAS
22901-09-3 Purity
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22901-09-3 Purity
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Specification
The molecular formula is C8H4BrF6N.
The molecular weight is 308.02 g/mol.
The IUPAC name is 2-bromo-4,5-bis(trifluoromethyl)aniline.
The InChI is InChI=1S/C8H4BrF6N/c9-5-1-3(7(10,11)12)4(2-6(5)16)8(13,14)15/h1-2H,16H2.
The InChIKey is GDBFBFPCVDCVRM-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=CC(=C1N)Br)C(F)(F)F)C(F)(F)F.
The CAS number is 230295-15-5.
The molecular weight is 308.02 g/mol.
There is 1 hydrogen bond donor count.
There are 0 rotatable bond counts.