2-Amino-2',4'-dichloroacetophenone

C₈H₇Cl₂NOCAS 313553-17-2204.05 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₈H₇Cl₂NO
Molar mass: 204.05 g/mol
Exact mass: 202.9905 Da
logP: 2.13Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

313553-17-2

SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)CN

InChIKey

VYQSJEQBJVHARP-UHFFFAOYSA-N

InChI

InChI=1S/C8H7Cl2NO/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3H,4,11H2

Weigh it out

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Work with 2-Amino-2',4'-dichloroacetophenone

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

2,2′,4′-Trichloroacetophenone4252-78-268 % similar 2-Amino-1-(2-chlorophenyl)ethanone743357-99-567 % similar 2-Bromo-2',4'-dichloroacetophenone170894-53-866 % similar 2,4-Dichlorophenacyl bromide2631-72-366 % similar 1-(2,4-Dichlorophenyl)-1-propanone37885-41-966 % similar 1-(2,4-Dichlorophenyl)-1-butanone66353-47-762 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-359 % similar 2,4-Dichlorobenzhydrazide5814-06-257 % similar

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

Same formula

2-Chloro-N-(3-chlorophenyl)acetamide2564-05-8 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 2,4-Dichloroacetophenone oxime71516-67-1

Elsewhere

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