CAS
944794-82-5 Purity
96%
944794-82-5 Purity
96%
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The molecular formula is C6H5BrINO.
It was created on 2008-02-29 and last modified on 2023-12-30.
The IUPAC name is 5-bromo-2-iodo-3-methoxypyridine.
The InChI is InChI=1S/C6H5BrINO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3.
The InChIKey is JHZQBZOJQDBRHT-UHFFFAOYSA-N.
It has 2 hydrogen bond acceptors.
The exact mass is 312.85992 g/mol.
The topological polar surface area is 22.1 Å2.
It has 1 rotatable bond count.
Yes, the compound is canonicalized.