chempirical

5-(2-Bromoacetyl)-2-hydroxybenzamide

C9H8BrNO3CAS 73866-23-6258.07 g/mol

Open in Covalent MOL file
H2NOOBrHO
Alkyl halideKetonePhenol

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 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

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)

Weigh it out

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

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-[2-[Bis(phenylmethyl)amino]acetyl]-2-hydroxybenzamide30566-92-859 % similar 5-(2-Bromoacetyl)-2-hydroxybenzaldehyde115787-50-356 % similar 5-Bromo-2-hydroxybenzamide6329-74-451 % similar 2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone126581-65-550 % similar Benzamide, 2-hydroxy-5-[2-[(1-methyl-3-phenylpropyl)amino]acetyl]-, hydrochloride (1:1)96441-14-449 % similar 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-349 % similar N-Octanoyl-5-salicylic acid78418-01-648 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook