Paclobutrazol

(2S,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol

Also Known As: Paclobutrazol|Paclobutrazol Impurity 2|2S,3R-Paclobutrazol|rel-(2R,3S)-Paclobutrazol|1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (R-(R*,S*))-|(2S,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol|(2S,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol, (2S,3R)-|1H-1,2,4-Triazole-1-ethanol, beta-[(4-chlorophenyl)methyl]-alpha-(1,1-dimethylethyl)-, [R-(R*,S*)]-|1H-1,2,4-Triazole-1-ethanol,b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-,[R-(R*,S*)]- (9CI)

Molecular Formula	C15H20ClN3O
Molecular Weight	293.1295 g/mol
LogP	3.1223
Topological Polar Surface Area	50.94 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	293.1295
Monoisotopic Mass	293.1295
Heavy Atoms	20
Complexity	531.24634

Chemical Identifiers

CAS Number	76738-64-2
SMILES	CC(C)(C)[C@H]([C@H](CC1=CC=C(C=C1)Cl)N2C=NC=N2)O