3′,5′-Dibromo-4′-hydroxyacetophenone

C₈H₆Br₂O₂CAS 2887-72-1293.94 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₈H₆Br₂O₂
Molar mass: 293.94 g/mol
Exact mass: 291.8735 Da
Melting point: 181 °C
logP: 3.12Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

2887-72-1

SMILES

CC(=O)c1cc(Br)c(O)c(Br)c1

InChIKey

ZNWPTJSBHHIXLJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Br2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3

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

Names and synonyms

5 names

Ethanone, 1-(3,5-dibromo-4-hydroxyphenyl)-
Acetophenone, 3′,5′-dibromo-4′-hydroxy-
1-(3,5-Dibromo-4-hydroxyphenyl)ethanone
NSC 41698
1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one

Work with 3′,5′-Dibromo-4′-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-Dibromo-4-hydroxybenzoic acid3337-62-058 % similar Acetosyringone2478-38-858 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-356 % similar 1-(3,5-Dibromophenyl)ethanone14401-73-155 % similar 1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-854 % similar 3,5-Dihydroxyacetophenone51863-60-653 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-451 % similar 2,6-Dibromo-4-methylphenol2432-14-647 % similar

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

Same formula

2,5-Dibromobenzeneacetic acid203314-28-7 Methyl 3,5-dibromobenzoate51329-15-8 Methyl 2,5-dibromobenzoate57381-43-8 3,5-Dibromo-4-methylbenzoic acid67973-32-4

Elsewhere

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