Triadimefon

C₁₄H₁₆ClN₃O₂CAS 43121-43-3293.75 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₁₄H₁₆ClN₃O₂
Molar mass: 293.75 g/mol
Exact mass: 293.0931 Da
Density: 1.283 g/mL (at 21.5 °C)
Melting point: 82 °C
logP: 3.12Crippen estimate
Polar surface area: 57.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Identifiers

CAS number

43121-43-3

SMILES

CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1

InChIKey

WURBVZBTWMNKQT-UHFFFAOYSA-N

InChI

InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

23 names · show all

2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-
1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
BAY-MEB 6447
1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone
BAY 6681F
MEB 6447
1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone
Bayleton
Bayleton 250EC
Bayleton special
Tidifon
Triadimephon
Bayleton PB
Bayleton 5WP
Bayleton 25
Azocene
Fenxiunin
1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone
Tripinacloraz
Bayleton 5
NSC 303303
Webeton
Bayleton 5DF

Work with Triadimefon

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Climbazole38083-17-965 % similar Triadimenol55219-65-354 % similar Paclobutrazol76738-62-041 % similar 2-(4-Chlorophenoxy)propionic acid3307-39-938 % similar Clofop26129-32-836 % similar Uniconazole83657-22-136 % similar Clofibric acid882-09-733 % similar 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone66346-01-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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