3'-Bromo-5'-chloro-2'-hydroxyacetophenone

C₈H₆BrClO₂CAS 59443-15-1249.49 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₈H₆BrClO₂
Molar mass: 249.49 g/mol
Exact mass: 247.9240 Da
logP: 3.01Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

59443-15-1

SMILES

CC(=O)C1=C(C(=CC(=C1)Cl)Br)O

InChIKey

FFAVKFQPEOGJOA-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3

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Work with 3'-Bromo-5'-chloro-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',5'-Dichloro-2'-hydroxyacetophenone3321-92-469 % similar 3',5'-Dibromo-2'-hydroxyacetophenone22362-66-966 % similar 1-(2-Bromo-4-chlorophenyl)ethanone825-40-161 % similar 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-160 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-157 % similar 2-Hydroxy-5-chloro-3-nitroacetophenone84942-40-557 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-453 % similar 3-Bromo-5-chlorosalicylaldehyde19652-32-549 % similar

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

Same formula

α-Bromo-2-chlorobenzeneacetic acid141109-25-3 4-Bromo-2-chlorobenzoic acid methyl ester185312-82-7 Methyl 2-bromo-5-chlorobenzoate27007-53-0 α-Bromo-2-chlorobenzeneacetic acid29270-30-2 Alpha-bromo-4-chlorophenylacetic acid3381-73-5 2-Bromo-4-chlorobenzeneacetic acid52864-56-9 2-Bromo-5-methoxybenzoyl chloride56658-04-9 Methyl 2-bromo-4-chlorobenzoate57381-62-1

Elsewhere

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