Oxiconazole

C₁₈H₁₃Cl₄N₃OCAS 64211-45-6429.12 g/mol

Open in Covalent MOL file

Aryl halide Oxime

Properties

Molecular formula: C₁₈H₁₃Cl₄N₃O
Molar mass: 429.12 g/mol
Exact mass: 426.9813 Da
logP: 6.12Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Identifiers

CAS number

64211-45-6

SMILES

Clc1ccc(CO/N=C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1

InChIKey

QRJJEGAJXVEBNE-HKOYGPOVSA-N

InChI

InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+

Weigh it out

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

Names and synonyms

2 names

Ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, O-[(2,4-dichlorophenyl)methyl]oxime, (1Z)-
Ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, O-[(2,4-dichlorophenyl)methyl]oxime, (Z)-

Work with Oxiconazole

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

Oxiconazole nitrate64211-46-778 % similar 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone46503-52-062 % similar Miconazole22916-47-854 % similar (±)-α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol24155-42-845 % similar Econazole27220-47-945 % similar Isoconazole27523-40-645 % similar Miconazole nitrate22832-87-744 % similar Tioconazole65899-73-242 % similar

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

Elsewhere

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