CAS
331647-05-3 Purity
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331647-05-3 Purity
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The molecular formula is C6H3BrFI.
The molecular weight is 300.89 g/mol.
The IUPAC name is 4-bromo-1-fluoro-2-iodobenzene.
The InChI key is JNETZJWWXCLUKM-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Br)I)F.
The CAS number is 116272-41-4.
The EC number is 687-956-8.
The DSSTox Substance ID is DTXSID90382266.
The XLogP3-AA value is 3.4.
Yes, it is canonicalized in PubChem.