(5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methanol

C₁₃H₁₁Cl₂NO₂CAS 946426-89-7284.14 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₁₃H₁₁Cl₂NO₂
Molar mass: 284.14 g/mol
Exact mass: 283.0167 Da
logP: 4.02Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

946426-89-7

SMILES

C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)CO

InChIKey

KRGFOUGVZFEEBW-UHFFFAOYSA-N

InChI

InChI=1S/C13H11Cl2NO2/c14-9-2-1-3-10(15)11(9)12-8(6-17)13(18-16-12)7-4-5-7/h1-3,7,17H,4-6H2

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Work with (5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methanol

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

2,6-Dichlorobenzyl alcohol15258-73-843 % similar Cilofexor1418274-28-839 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-937 % similar 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid3919-76-437 % similar 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride4462-55-935 % similar 2-Chlorobenzyl alcohol17849-38-634 % similar 6-Chloro-2-fluoro-3-methylbenzyl alcohol261762-84-931 % similar 2,6-Dichlorobenzeneethanol30595-79-031 % similar

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

Same formula

Procymidone32809-16-8

Elsewhere

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