chempirical

5′-Bromo-2′-hydroxyacetophenone

C8H7BrO2CAS 1450-75-5215.05 g/mol

Open in Covalent MOL file
OBrHO
Aryl halideKetonePhenol

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
Melting point
56 °C
Boiling point
135–143 °C (at 16 Torr)
logP
2.36Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1450-75-5
SMILES
CC(=O)c1cc(Br)ccc1O
InChIKey
HQCCNFFIOWYINW-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

10 names
  • Ethanone, 1-(5-bromo-2-hydroxyphenyl)-
  • Acetophenone, 5′-bromo-2′-hydroxy-
  • 1-(5-Bromo-2-hydroxyphenyl)ethanone
  • 5-Bromo-2-hydroxyacetophenone
  • 5′-Bromo-o-hydroxyacetophenone
  • 2-Acetyl-4-bromophenol
  • 2′-Hydroxy-5′-bromoacetophenone
  • 3-Bromo-6-hydroxyphenyl methyl ketone
  • NSC 46621
  • 1-(5-Bromo-2-hydroxyphenyl)ethan-1-one

Work with 5′-Bromo-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

2′-Hydroxy-5′-methylacetophenone1450-72-262 % similar 5-Bromosalicylic acid89-55-462 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-460 % similar 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-360 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-160 % similar 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-259 % similar 4,6-Diacetylresorcinol2161-85-558 % similar 2′-Hydroxy-5′-methoxyacetophenone705-15-757 % similar

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

Same formula

2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5 5-Bromo-2-methoxybenzaldehyde25016-01-7 3-Bromo-5-methoxybenzaldehyde262450-65-7

Elsewhere

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