5-(2-Bromoacetyl)-2-hydroxybenzamide

C₉H₈BrNO₃CAS 73866-23-6258.07 g/mol

Open in Covalent MOL file

Alkyl halide Ketone Phenol

Properties

Molecular formula: C₉H₈BrNO₃
Molar mass: 258.07 g/mol
Exact mass: 256.9688 Da
Melting point: 196 °C
logP: 1.85Crippen estimate
Polar surface area: 81.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation77.8% of notifiers
H319 Causes serious eye irritation77.8% of notifiers
H335 May cause respiratory irritation77.8% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

73866-23-6

SMILES

N=C(O)c1cc(C(=O)CBr)ccc1O

InChIKey

VXWSXLSUWGZOHD-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)

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Names and synonyms

4 names

Benzamide, 5-(2-bromoacetyl)-2-hydroxy-
Benzamide, 5-(bromoacetyl)-2-hydroxy-
5-(Bromoacetyl)salicylamide
5-Bromoacetyl-2-hydroxybenzamide

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

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

5-Acetyl-2-hydroxybenzamide40187-51-761 % similar 5-((Bis(benzyl)amino)acetyl)salicylamide30566-92-859 % similar 5-(2-Bromoacetyl)-2-hydroxybenzaldehyde115787-50-356 % similar 2-Bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-one62932-94-956 % similar 5-Bromo-2-hydroxybenzamide6329-74-451 % similar 2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone126581-65-550 % similar 4-(2-Bromo-acetyl)-benzoic acid20099-90-550 % similar Benzamide, 2-hydroxy-5-[2-[(1-methyl-3-phenylpropyl)amino]acetyl]-, hydrochloride (1:1)96441-14-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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