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Specification
The molecular formula of 2-Bromopyridin-3-yl sulfurofluoridate is C5H3BrFNO3S.
The molecular weight of 2-Bromopyridin-3-yl sulfurofluoridate is 256.05 g/mol.
The IUPAC name of 2-Bromopyridin-3-yl sulfurofluoridate is 2-bromo-3-fluorosulfonyloxypyridine.
The InChI of 2-Bromopyridin-3-yl sulfurofluoridate is InChI=1S/C5H3BrFNO3S/c6-5-4(2-1-3-8-5)11-12(7,9)10/h1-3H.
The InChIKey of 2-Bromopyridin-3-yl sulfurofluoridate is XPCXOVRVXVCGKC-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromopyridin-3-yl sulfurofluoridate is C1=CC(=C(N=C1)Br)OS(=O)(=O)F.
The XLogP3-AA of 2-Bromopyridin-3-yl sulfurofluoridate is 2.
2-Bromopyridin-3-yl sulfurofluoridate has 0 hydrogen bond donor count.
2-Bromopyridin-3-yl sulfurofluoridate has 5 hydrogen bond acceptor count.
2-Bromopyridin-3-yl sulfurofluoridate has 2 rotatable bond count.