CAS
1211588-96-3 Purity
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1211588-96-3 Purity
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Specification
The molecular formula is C6H4BrClOS.
The molecular weight is 239.52 g/mol.
The IUPAC name of the compound is 1-(5-bromothiophen-2-yl)-2-chloroethanone.
The InChI is InChI=1S/C6H4BrClOS/c7-6-2-1-5(10-6)4(9)3-8/h1-2H,3H2.
The InChIKey is LLKNSKSZYVBKOO-UHFFFAOYSA-N.
The canonical SMILES is C1=C(SC(=C1)Br)C(=O)CCl.
The CAS number is 62673-67-0.
The European Community (EC) number is 673-349-5.
The ChEMBL ID is CHEMBL142764.
The XLogP3-AA value is 3.3.