1-[2-Chloro-4-(4-chlorophenoxy)phenyl]ethanone

C₁₄H₁₀Cl₂O₂CAS 119851-28-4281.13 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₁₄H₁₀Cl₂O₂
Molar mass: 281.13 g/mol
Exact mass: 280.0058 Da
logP: 4.99Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H317 May cause an allergic skin reaction97.1% of notifiers
H400 Very toxic to aquatic life97.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.1% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

119851-28-4

SMILES

CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

InChIKey

BDTJIVUVQRVLLJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H10Cl2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,1H3

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Names and synonyms

3 names

Ethanone, 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-
2-Chloro-4-(4-chlorophenoxy)acetophenone
1-[2-Chloro-4-(4-chlorophenoxy)phenyl]ethan-1-one

Work with 1-[2-Chloro-4-(4-chlorophenoxy)phenyl]ethanone

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'-Dichloroacetophenone2234-16-469 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-155 % similar 1-(2-Chloro-4-hydroxyphenyl)ethanone68301-59-753 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-653 % similar 2′-Chloroacetophenone2142-68-951 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-849 % similar 1-(4-Chloro-2-hydroxyphenyl)ethanone6921-66-049 % similar 1-(2-Bromo-4-chlorophenyl)ethanone825-40-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene14868-03-2 4-[(3,4-Dichlorobenzyl)oxy]benzaldehyde66742-56-1 4-[(2,4-Dichlorobenzyl)oxy]benzaldehyde70627-17-7

Elsewhere

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