1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one
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![1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5a8dd9f701a44727b74278886e16459c.png "1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one")
1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one
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CAS No:
63190-87-4
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Formula:
C15H18ClN3O
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Chemical Name:
1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one
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Synonyms:
1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one;Paclobutrazol Impurity 3;3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-
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CAS No:
1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one Basic Attributes
291.78
291.1138399
812-566-3
DTXSID80513143
Safety Information
|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 156 companies from 1 notifications to the ECHA C&L Inventory.
1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one Use and Manufacturing
Environmental transformation -> Pesticide transformation products (metabolite, successor)
CGA 149907 is a known environmental transformation product of Paclobutrazol.
Computed Properties
Molecular Weight:291.77
XLogP3:3.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:291.1138399
Monoisotopic Mass:291.1138399
Topological Polar Surface Area:47.8
Heavy Atom Count:20
Complexity:335
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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