89901-03-1 Purity
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Specification
The molecular formula of 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is C8H5BrF4.
The molecular weight of 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is 257.02 g/mol.
The IUPAC name of 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methylbenzene.
The InChI of 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is InChI=1S/C8H5BrF4/c1-3-5(10)7(12)4(2-9)8(13)6(3)11/h2H2,1H3.
The InChIKey of 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is JGBVMYAEIPKDQB-UHFFFAOYSA-N.
The Canonical SMILES of 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is CC1=C(C(=C(C(=C1F)F)CBr)F)F.
The CAS number of 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is 92814-00-1.
The European Community (EC) Number of 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is 621-577-0.
The XLogP3-AA value of 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is 3.2.
Yes, 4-Methyl-2,3,5,6-tetrafluorobenzyl bromide is a canonicalized compound.