3-[(4-chlorophenyl)methyl]-3H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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CAS132269-53-5
Purity%
Product CodeF768533
Product Name3-[(4-chlorophenyl)methyl]-3H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Other Names3-(4-Chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
CAS132269-53-5
Purity98%
Molecular weight261.67
IUPAC Name3-[(4-chlorophenyl)methyl]-3H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
SMILESClC1=CC=C(CN2N=NC3=C2NC=NC3=O)C=C1
INCHI CodeInChI=1S/C11H8ClN5O/c12-8-3-1-7(2-4-8)5-17-10-9(15-16-17)11(18)14-6-13-10/h1-4,6H,5H2,(H,13,14,18)
Asymmetric atoms0
LogP2.092996
H bond acceptors5
H bond donors1
fsp30.09090909
Concept CodesPhenyl, Heterocycle, Heteroaromatic, Chloro, Halo, 5-Membered heteroaromatic, 5-Membered heterocycle, 6-Membered heteroaromatic, 6-Membered heterocycle, Monochlorobenzene, Monosubstituted (para) monochlorobenzene, Cyclic, Aromatic