85482-13-9 Purity
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Specification
The molecular formula of 4-Bromo-2-chlorotoluene is C7H6BrCl.
The molecular weight of 4-Bromo-2-chlorotoluene is 205.48 g/mol.
The IUPAC name of 4-Bromo-2-chlorotoluene is 4-bromo-2-chloro-1-methylbenzene.
The InChI of 4-Bromo-2-chlorotoluene is InChI=1S/C7H6BrCl/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3.
The InChIKey of 4-Bromo-2-chlorotoluene is LIFMTDJMLRECMX-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-2-chlorotoluene is CC1=C(C=C(C=C1)Br)Cl.
The CAS number of 4-Bromo-2-chlorotoluene is 89794-02-5.
The European Community (EC) number of 4-Bromo-2-chlorotoluene is 629-393-2.
The DSSTox Substance ID of 4-Bromo-2-chlorotoluene is DTXSID20370792.
Yes, 4-Bromo-2-chlorotoluene is a canonicalized compound.