CAS
918870-76-5 Purity
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918870-76-5 Purity
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The molecular formula is C8H11ClN4O2.
The molecular weight is 230.65 g/mol.
It was created on 2015-12-11 and modified on 2023-12-30.
The IUPAC name is N-tert-butyl-2-chloro-5-nitropyrimidin-4-amine.
The InChI is InChI=1S/C8H11ClN4O2/c1-8(2,3)12-6-5(13(14)15)4-10-7(9)11-6/h4H,1-3H3,(H,10,11,12).
The InChIKey is NOQRSGDPLIMGJV-UHFFFAOYSA-N.
It has 1 hydrogen bond donor count.
The topological polar surface area is 83.6 Ų.
It has 2 rotatable bond counts.
Yes, it is considered canonicalized.