chempirical

1-(2-Bromo-4-hydroxyphenyl)ethanone

C8H7BrO2CAS 61791-99-9215.05 g/mol

Open in Covalent MOL file
OOHBr
Aryl halideKetonePhenol

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
logP
2.36Crippen estimate
Polar surface area
37.3 Ų
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
61791-99-9
SMILES
CC(=O)C1=C(C=C(C=C1)O)Br
InChIKey
UHZMXDQVZPWRQD-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3

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Names and synonyms

1 names
  • 1-(2-Bromo-4-hydroxyphenyl)ethan-1-one

Work with 1-(2-Bromo-4-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

2′,4′-Dihydroxyacetophenone89-84-964 % similar 4′-Hydroxy-2′-methylacetophenone875-59-262 % similar 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-960 % similar 1-(2-Chloro-4-hydroxyphenyl)ethanone68301-59-760 % similar 1-(2-Bromo-4-chlorophenyl)ethanone825-40-160 % similar 4-Acetyl-3-fluorophenol98619-07-960 % similar 2,5-Dihydroxyacetophenone490-78-859 % similar 2′-Bromoacetophenone2142-69-056 % similar

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

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 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

Elsewhere

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