CAS
5966-51-8 Purity
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5966-51-8 Purity
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Specification
The molecular formula is C6H3ClFI.
The molecular weight is 256.44 g/mol.
The IUPAC name is 4-chloro-2-fluoro-1-iodobenzene.
The InChI is InChI=1S/C6H3ClFI/c7-4-1-2-6(9)5(8)3-4/h1-3H.
The InChIKey is RSTFBOIFYXJIMR-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Cl)F)I.
The CAS number is 6797-79-1.
The ChEMBL ID is CHEMBL2263228.
The XLogP3-AA value is 3.3.
Yes, it is a canonicalized compound according to PubChem.