3',5'-Dichloro-2'-hydroxyacetophenone

C8H6Cl2O2CAS 3321-92-4205.03 g/mol

Open in Covalent MOL file
OClClHO
Aryl halideKetonePhenol

Properties

Molecular formula
C8H6Cl2O2
Molar mass
205.03 g/mol
Exact mass
203.9745 Da
logP
2.90Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
3321-92-4
SMILES
CC(=O)C1=C(C(=CC(=C1)Cl)Cl)O
InChIKey
CJFYGRLJDKWMDI-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3

Weigh it out

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

Work with 3',5'-Dichloro-2'-hydroxyacetophenone

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

3'-Bromo-5'-chloro-2'-hydroxyacetophenone59443-15-169 % similar 3,5-Dichlorosalicylic acid320-72-963 % similar 2-Hydroxy-5-chloro-3-nitroacetophenone84942-40-559 % similar 2',4'-Dichloroacetophenone2234-16-457 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-157 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-454 % similar 2,4,6-Trichlorophenol88-06-253 % similar 5'-Chloro-2'-hydroxy-4'-methylacetophenone28480-70-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorophenylacetic acid10236-60-9 Methyl 2,6-dichlorobenzoate14920-87-7 2,4-Dichlorophenylacetic acid19719-28-9 Methyl 2,3-dichlorobenzoate2905-54-6 3,5-Dichlorobenzoic acid methyl ester2905-67-1 Methyl 3,4-dichlorobenzoate2905-68-2 Methyl 2,5-dichlorobenzoate2905-69-3 5-Chloro-2-methoxybenzoyl chloride29568-33-0

Elsewhere

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