80945-86-4 Purity
97%
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Specification
The molecular formula is C6H2Br2ClI.
The synonyms include 1,5-dibromo-3-chloro-2-iodobenzene, 81067-45-0, 1-CHLORO-3,5-DIBROMO-2-IODOBENZENE, and DTXSID20659332.
The molecular weight is 396.24 g/mol.
It was created on January 26, 2010, and last modified on December 2, 2023.
The IUPAC name is 1,5-dibromo-3-chloro-2-iodobenzene.
The InChI is InChI=1S/C6H2Br2ClI/c7-3-1-4(8)6(10)5(9)2-3/h1-2H.
The InChIKey is RLXLNRHOXVGHAH-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1Cl)I)Br)Br.
The CAS number is 81067-45-0.
The molecular weight is 396.24 g/mol, and the XLogP3-AA value is 4.6.