453-53-2 Purity
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Specification
The molecular formula is C7H6BrFO3S.
The synonyms are 5-BROMO-2-METHOXYBENZENE-1-SULFONYL FLUORIDE, 457051-09-1, and SCHEMBL7421633.
The molecular weight is 269.09 g/mol.
It was created on October 20, 2014.
It was last modified on December 23, 2023.
The IUPAC name is 5-bromo-2-methoxybenzenesulfonyl fluoride.
The InChI is InChI=1S/C7H6BrFO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3.
The InChIKey is SQXFRZSRCGSBKW-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=C(C=C1)Br)S(=O)(=O)F.
The XLogP3-AA value is 2.4.