5'-Chloro-2'-hydroxy-4'-methylacetophenone

C₉H₉ClO₂CAS 28480-70-8184.62 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₉H₉ClO₂
Molar mass: 184.62 g/mol
Exact mass: 184.0291 Da
logP: 2.56Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

28480-70-8

SMILES

CC1=CC(=C(C=C1Cl)C(=O)C)O

InChIKey

HDUSGGZSLVCDKY-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H3

Weigh it out

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

Work with 5'-Chloro-2'-hydroxy-4'-methylacetophenone

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′-Hydroxy-4′,5′-dimethylacetophenone36436-65-472 % similar 4,6-Diacetylresorcinol2161-85-565 % similar 1-(4-Chloro-3-methylphenyl)ethanone37074-39-854 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-453 % similar 1-(3-Chloro-4-hydroxyphenyl)ethanone2892-29-753 % similar 1-(4-Chloro-2-hydroxyphenyl)ethanone6921-66-053 % similar 3',5'-Dichloro-2'-hydroxyacetophenone3321-92-451 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-250 % similar

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

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(2-Chlorophenyl)propionic acid1643-28-3 Benzyloxyacetyl chloride19810-31-2 3-(4-Chlorophenyl)propanoic acid2019-34-3 3-(3-Chlorophenyl)propanoic acid21640-48-2

Elsewhere

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