59557-90-3 Purity
98%
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Specification
The molecular formula of 5-Bromo-2-phenoxypyridine is C11H8BrNO.
The synonyms of 5-Bromo-2-phenoxypyridine are 59717-96-3, Pyridine 5-bromo-2-phenoxy-, 2-phenoxy-5-bromopyridine, and 5-Bromo-2-phenoxy-pyridine.
The molecular weight of 5-Bromo-2-phenoxypyridine is 250.09 g/mol.
5-Bromo-2-phenoxypyridine was created on December 5, 2007, and last modified on December 2, 2023.
The IUPAC name of 5-Bromo-2-phenoxypyridine is 5-bromo-2-phenoxypyridine.
The InChI of 5-Bromo-2-phenoxypyridine is InChI=1S/C11H8BrNO/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H.
The InChIKey of 5-Bromo-2-phenoxypyridine is ZHIHQFMWBOTCQR-UHFFFAOYSA-N.
The canonical SMILES of 5-Bromo-2-phenoxypyridine is C1=CC=C(C=C1)OC2=NC=C(C=C2)Br.
The CAS number of 5-Bromo-2-phenoxypyridine is 59717-96-3.
The molecular weight is 250.09 g/mol.
The XLogP3 is 3.1.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 2.
The rotatable bond count is 2.
The exact mass is 248.97893 g/mol.
The monoisotopic mass is 248.97893 g/mol.
The topological polar surface area is 22.1Ų.
The heavy atom count is 14.
The formal charge is 0.
The complexity is 171.
The isotope atom count is 0.
The defined atom stereocenter count is 0.
The undefined atom stereocenter count is 0.
The defined bond stereocenter count is 0.
The undefined bond stereocenter count is 0.
The covalently-bonded unit count is 1.
The compound is canonicalized.