57946-56-2 Purity
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Specification
The molecular formula is C6H3ClF2O2S.
It was created on 2005-07-19 and last modified on 2023-12-23.
The IUPAC name is 2,6-difluorobenzenesulfonyl chloride.
The InChIKey is QXWAUQMMMIMLTO-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=C(C(=C1)F)S(=O)(=O)Cl)F.
The molecular weight is 212.60 g/mol.
The CAS number is 60230-36-6.
There are 4 hydrogen bond acceptors.
The topological polar surface area is 42.5 Å2.
Yes, it is a canonicalized compound.
Reference: [1] Patent: US2013/53562, 2013, A1, . Location in patent: Paragraph 0073
Reference: [1] Patent: WO2011/47238, 2011, A1, . Location in patent: Page/Page column 17-18
Reference: [1] Patent: WO2011/47238, 2011, A1,
* For details of the synthesis route, please refer to the original source to ensure accuracy.