CAS
914347-64-1 Purity
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914347-64-1 Purity
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Specification
The molecular formula is C8H10BrN3O.
The molecular weight is 244.09 g/mol.
The IUPAC name is 5-bromo-2-pyrrolidin-3-yloxypyrimidine.
The InChI is InChI=1S/C8H10BrN3O/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2.
The InChIKey is OJLUWWFOZOXWOI-UHFFFAOYSA-N.
The canonical SMILES is C1CNCC1OC2=NC=C(C=N2)Br.
There is 1 hydrogen bond donor count.
There are 4 hydrogen bond acceptor counts.
The topological polar surface area is 47Ų.
Yes, the compound is canonicalized in PubChem.