66137-74-4 Purity
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Specification
The molecular formula of 4-Bromo-3-methylbenzenesulfonyl fluoride is C7H6BrFO2S.
The molecular weight of 4-Bromo-3-methylbenzenesulfonyl fluoride is 253.09 g/mol.
The IUPAC name of 4-Bromo-3-methylbenzenesulfonyl fluoride is 4-bromo-3-methylbenzenesulfonyl fluoride.
The InChI of 4-Bromo-3-methylbenzenesulfonyl fluoride is InChI=1S/C7H6BrFO2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,1H3.
The InChIKey of 4-Bromo-3-methylbenzenesulfonyl fluoride is MFTYFZJCYYEADZ-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-3-methylbenzenesulfonyl fluoride is CC1=C(C=CC(=C1)S(=O)(=O)F)Br.
The CAS number of 4-Bromo-3-methylbenzenesulfonyl fluoride is 1030832-29-1.
The EC number of 4-Bromo-3-methylbenzenesulfonyl fluoride is 808-325-7.
The XLogP3-AA value of 4-Bromo-3-methylbenzenesulfonyl fluoride is 2.8.
Yes, 4-Bromo-3-methylbenzenesulfonyl fluoride is a canonicalized compound.