957120-63-7 Purity
98%
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The molecular formula is C4H4BClN2O2.
The molecular weight is 158.35 g/mol.
The IUPAC name is (2-chloropyrimidin-5-yl)boronic acid.
The CAS number is 1003845-06-4.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
It has 1 rotatable bond count.
The exact mass is 158.0054352 g/mol.
The topological polar surface area is 66.2Ų.
Yes, it is a canonicalized compound.
Reference: [1]Patent: US2017/291910,2017,A1 .Location in patent: Paragraph 0508-0510
Reference: [1] Patent: WO2015/86506, 2015, A1, . Location in patent: Page/Page column 131
Reference: [1] Patent: US2017/291910, 2017, A1, . Location in patent: Paragraph 0511-0513
Reference: [1] Patent: WO2011/84402, 2011, A1, . Location in patent: Page/Page column 153-154
Reference: [1]Patent: WO2008/9435,2008,A1 .Location in patent: Page/Page column 189-190
Reference: [1]European Journal of Organic Chemistry,2007,p. 5712 - 5716
* For details of the synthesis route, please refer to the original source to ensure accuracy.