5-(2-Bromoacetyl)-2-hydroxybenzaldehyde

C₉H₇BrO₃CAS 115787-50-3243.06 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ketone Phenol

Properties

Molecular formula: C₉H₇BrO₃
Molar mass: 243.06 g/mol
Exact mass: 241.9579 Da
Melting point: 117–118 °C
logP: 1.78Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

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

115787-50-3

SMILES

O=Cc1cc(C(=O)CBr)ccc1O

InChIKey

LPSGRBXPXIPMPF-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrO3/c10-4-9(13)6-1-2-8(12)7(3-6)5-11/h1-3,5,12H,4H2

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Names and synonyms

3 names

Benzaldehyde, 5-(2-bromoacetyl)-2-hydroxy-
Benzaldehyde, 5-(bromoacetyl)-2-hydroxy-
5-(Bromoacetyl)salicylaldehyde

Work with 5-(2-Bromoacetyl)-2-hydroxybenzaldehyde

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-Formyl-4-hydroxybenzoic acid584-87-261 % similar 2-Bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-one62932-94-960 % similar 5-(2-Bromoacetyl)-2-hydroxybenzamide73866-23-656 % similar Methyl 3-formyl-4-hydroxybenzoate24589-99-955 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-551 % similar 5-Bromosalicylaldehyde1761-61-150 % similar 5-Bromosalicylaldehyde17691-61-150 % similar 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-450 % similar

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

Same formula

Methyl 5-bromo-2-formylbenzoate1016163-89-5 4-(2-Bromo-acetyl)-benzoic acid20099-90-5 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-1

Elsewhere

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