chempirical

2-Bromo-1-(2-hydroxyphenyl)ethanone

C8H7BrO2CAS 2491-36-3215.05 g/mol

Open in Covalent MOL file
OBrHO
Alkyl halideKetonePhenol

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
Melting point
70–71 °C
Boiling point
152–158 °C (at 18 Torr)
logP
1.97Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2491-36-3
SMILES
O=C(CBr)c1ccccc1O
InChIKey
SGPKEYSZPHMVNI-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2

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Names and synonyms

9 names
  • Ethanone, 2-bromo-1-(2-hydroxyphenyl)-
  • Acetophenone, 2-bromo-2′-hydroxy-
  • 2-Bromo-2′-hydroxyacetophenone
  • ω-Bromo-o-hydroxyacetophenone
  • α-Bromo-2-hydroxyacetophenone
  • 2′-Hydroxy-2-bromoacetophenone
  • 2-Hydroxyphenacyl bromide
  • Bromomethyl 2-hydroxyphenyl ketone
  • 2-Bromo-1-(2-hydroxyphenyl)ethan-1-one

Work with 2-Bromo-1-(2-hydroxyphenyl)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-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione1469-94-959 % similar 2-Hydroxybutyrophenone2887-61-859 % similar 2′-Hydroxydihydrochalcone3516-95-859 % similar 2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone126581-65-558 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-858 % similar 2-Bromo-1-(2-fluorophenyl)ethanone655-15-258 % similar 2,2′-Dihydroxybenzophenone835-11-053 % similar 2-Bromo-1-(2-methoxyphenyl)ethanone31949-21-053 % similar

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

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 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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