CAS
16799-05-6 Purity
96%
16799-05-6 Purity
96%
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Specification
The molecular formula is C10H13Cl.
The molecular weight is 168.66 g/mol.
The IUPAC name is 1-(chloromethyl)-4-propan-2-ylbenzene.
The InChI is InChI=1S/C10H13Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3.
The InChIKey is CYAKWEQUWJAHLW-UHFFFAOYSA-N.
The canonical SMILES is CC(C)C1=CC=C(C=C1)CCl.
The CAS number is 2051-18-5.
The EC number is 218-114-6.
The UNII is XD5932E3V5.
Yes, it is a canonicalized compound.