CAS
200956-15-6 Purity
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200956-15-6 Purity
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The molecular formula is C6H2BrClFI.
The molecular weight is 335.34 g/mol.
The IUPAC name is 1-bromo-5-chloro-3-fluoro-2-iodobenzene.
The InChI is InChI=1S/C6H2BrClFI/c7-4-1-3(8)2-5(9)6(4)10/h1-2H.
The InChIKey is IKJUIUCZEXVZMB-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1F)I)Br)Cl.
The CAS number is 201849-16-3.
The XLogP3-AA value is 4.
The hydrogen bond donor count is 0.
Yes, it is a canonicalized compound.