1-(3,5-Dibromophenyl)ethanone

C₈H₆Br₂OCAS 14401-73-1277.94 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₆Br₂O
Molar mass: 277.94 g/mol
Exact mass: 275.8785 Da
Melting point: 66 °C
Boiling point: 160–164 °C (at NaN Torr)
logP: 3.41Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

14401-73-1

SMILES

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

InChIKey

NHFJDRRYVMJBRJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Br2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3

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

Names and synonyms

4 names

Ethanone, 1-(3,5-dibromophenyl)-
Acetophenone, 3′,5′-dibromo-
3,5-Dibromoacetophenone
3′,5′-Dibromoacetophenone

Work with 1-(3,5-Dibromophenyl)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

1-(4′-Bromo[1,1′-biphenyl]-4-yl)ethanone5731-01-157 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-155 % similar 1,4-Diacetylbenzene1009-61-652 % similar 3',5'-Difluoroacetophenone123577-99-152 % similar 3,5-Dihydroxyacetophenone51863-60-652 % similar 1,3-Diacetylbenzene6781-42-650 % similar 1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-648 % similar 3′,5′-Dimethoxyacetophenone39151-19-448 % similar

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

Same formula

4-Bromophenacyl bromide99-73-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook