CAS
2051-18-5 Purity
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2051-18-5 Purity
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Specification
The IUPAC name of the compound is 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene.
The molecular formula is C12H15Br3.
The molecular weight is 398.96 g/mol.
The CAS number is 21988-87-4.
The InChI is InChI=1S/C12H15Br3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3.
The Canonical SMILES is CC1=C(C(=C(C(=C1CBr)C)CBr)C)CBr.
The XLogP3-AA value is 4.7.
It has 3 rotatable bonds.
The topological polar surface area is 0Ų.
Yes, it is a canonicalized compound.