2,4-Dichloroacetophenone oxime

C₈H₇Cl₂NOCAS 71516-67-1204.05 g/mol

Open in Covalent MOL file

Aryl halide Oxime

Properties

Molecular formula: C₈H₇Cl₂NO
Molar mass: 204.05 g/mol
Exact mass: 202.9905 Da
logP: 3.19Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Double bonds: EE/Z, in SMILES order

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

71516-67-1

SMILES

C/C(=N\O)/C1=C(C=C(C=C1)Cl)Cl

InChIKey

SIHFUCIFLOLJFU-VZUCSPMQSA-N

InChI

InChI=1S/C8H7Cl2NO/c1-5(11-12)7-3-2-6(9)4-8(7)10/h2-4,12H,1H3/b11-5+

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Names and synonyms

1 names

1-(2,4-Dichlorophenyl)ethanone oxime

Work with 2,4-Dichloroacetophenone oxime

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′,4′-Dichloroacetophenone2234-16-454 % similar 2,4-Dichlorobenzamide2447-79-250 % similar 2,4-Dichlorobenzoic acid50-84-050 % similar 2,4-Dichlorobenzoyl chloride89-75-847 % similar Methyl 2,4-dichlorobenzoate35112-28-846 % similar 1-(2,4-Dichlorophenyl)-1-propanone37885-41-946 % similar 2,4-Dichlorobenzoyl peroxide133-14-246 % similar 2,4-Dichloro-thiobenzamide2775-38-446 % similar

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

Same formula

2-Chloro-N-(3-chlorophenyl)acetamide2564-05-8 2-Amino-2',4'-dichloroacetophenone313553-17-2 N-(4-Chlorophenyl)-2-chloroacetamide3289-75-6 2-Chloro-N-(2-chlorophenyl)acetamide3289-76-7 1-(4-Amino-3,5-dichlorophenyl)ethanone37148-48-4 N-(2,4-Dichlorophenyl)acetamide6975-29-7

Elsewhere

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