100-86-7 Purity
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Specification
The chemical formula of 4-Methylbenzyl chloride is C8H9Cl.
The molecular weight of 4-Methylbenzyl chloride is 140.61 g/mol.
The IUPAC name of 4-Methylbenzyl chloride is 1-(chloromethyl)-4-methylbenzene.
The InChI of 4-Methylbenzyl chloride is InChI=1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3.
The InChIKey of 4-Methylbenzyl chloride is DMHZDOTYAVHSEH-UHFFFAOYSA-N.
The canonical SMILES of 4-Methylbenzyl chloride is CC1=CC=C(C=C1)CCl.
The CAS number of 4-Methylbenzyl chloride is 104-82-5.
The XLogP3 value of 4-Methylbenzyl chloride is 2.9.
Yes, 4-Methylbenzyl chloride is a canonicalized compound.