2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone

C11H7BrClNO2CAS 258506-49-9300.54 g/mol

Open in Covalent MOL file
NOOBrCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C11H7BrClNO2
Molar mass
300.54 g/mol
Exact mass
298.9349 Da
logP
3.57Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
258506-49-9
SMILES
C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)Cl
InChIKey
OUHGJKFYGYXITB-UHFFFAOYSA-N
InChI
InChI=1S/C11H7BrClNO2/c12-6-10(15)11-5-9(14-16-11)7-1-3-8(13)4-2-7/h1-5H,6H2

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Work with 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-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

5-(Bromoacetyl)-3-phenylisoxazole14731-14-773 % similar 2-Bromo-1-[3-(3,4-dichlorophenyl)isoxazol-5-yl]ethan-1-one175277-38-072 % similar 2′-Bromo-4-chloroacetophenone536-38-950 % similar 2-Bromo-2',4'-dichloroacetophenone170894-53-844 % similar 2,4-Dichlorophenacyl bromide2631-72-344 % similar 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-944 % similar 3-Phenyl-5-isoxazolecarboxylic acid14442-12-743 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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