934695-78-0 Purity
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The molecular formula is C7H7BrOS.
The molecular weight is 219.10 g/mol.
The IUPAC name is 1-bromo-4-methylsulfinylbenzene.
The InChIKey is MPOPDYTWAYBUOD-UHFFFAOYSA-N.
It has 2 hydrogen bond acceptor counts.
The topological polar surface area is 36.3 Ų.
Yes, the compound is canonicalized.
The exact mass is 217.94010 g/mol.
There is 1 covalently bonded unit.
The complexity value is 130.
Reference: [1]Lion, Claude; Da Conceicao, Louis; Hecquet, Gerard; Pralus, Christian; Schirmann, Jean-Pierre; Requieme, Benoit
[Phosphorus, Sulfur and Silicon and the Related Elements, 2004, vol. 179, # 6, p. 1131 - 1152]
Reference: [1]Location in patent: experimental part
Oh, Kyungsoo; Knabe, William Eric
[Tetrahedron, 2009, vol. 65, # 15, p. 2966 - 2974]
* For details of the synthesis route, please refer to the original source to ensure accuracy.