91477-50-5 Purity
96%
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Specification
The molecular formula is C12H11ClN2O.
The synonyms are 4-((Benzyloxy)methyl)-6-chloropyrimidine, 914802-11-2, 4-BENZYLOXYMETHYL-6-CHLORO-PYRIMIDINE, and 4-chloro-6-(phenylmethoxymethyl)pyrimidine.
The molecular weight is 234.68 g/mol.
The IUPAC name is 4-chloro-6-(phenylmethoxymethyl)pyrimidine.
The InChI is InChI=1S/C12H11ClN2O/c13-12-6-11(14-9-15-12)8-16-7-10-4-2-1-3-5-10/h1-6,9H,7-8H2.
The InChIKey is NUKBJRZXHSFACD-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)COCC2=CC(=NC=N2)Cl.
The XLogP3-AA value is 2.3.
The hydrogen bond donor count is 0.
Yes, it is a canonicalized compound.
Please kindly note that our products are for research use only.
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