CAS
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Specification
The molecular formula is C6H3ClFI.
The molecular weight is 256.44 g/mol.
The IUPAC name is 2-chloro-4-fluoro-1-iodobenzene.
The InChI is InChI=1S/C6H3ClFI/c7-5-3-4(8)1-2-6(5)9/h1-3H.
The InChIKey is POTCKVPDYXEGSV-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1F)Cl)I.
The CAS number is 101335-11-9.
The EC number is 600-191-6.
The DSSTox Substance ID is DTXSID20371441.
The molecular weight is 256.44 g/mol and the formal charge is 0.