chempirical

4-Bromo-3,5-dihydroxybenzamide

C7H6BrNO3CAS 13429-12-4232.03 g/mol

Open in Covalent MOL file
H2NOOHBrOH
Aryl halidePhenol

Properties

Molecular formula
C7H6BrNO3
Molar mass
232.03 g/mol
Exact mass
230.9531 Da
logP
1.74Crippen estimate
Polar surface area
84.5 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
1

Identifiers

CAS number
13429-12-4
SMILES
N=C(O)c1cc(O)c(Br)c(O)c1
InChIKey
GCNIEGHLVCGBRA-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c8-6-4(10)1-3(7(9)12)2-5(6)11/h1-2,10-11H,(H2,9,12)

Weigh it out

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

Names and synonyms

4 names
  • Benzamide, 4-bromo-3,5-dihydroxy-
  • α-Resorcylamide, 4-bromo-
  • 4-Bromo-3,5-resorcylamide
  • NSC 151973

Work with 4-Bromo-3,5-dihydroxybenzamide

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

3,4,5-Trihydroxybenzamide618-73-564 % similar 3,4-Dihydroxybenzamide54337-90-557 % similar 4-Bromo-3,5-dihydroxybenzoic acid16534-12-655 % similar 3,5-Dihydroxybenzamide3147-62-452 % similar 5-Bromo-2-hydroxybenzamide6329-74-446 % similar 3-Bromobenzamide22726-00-745 % similar 3,5-Dichlorobenzamide5980-23-445 % similar 5-Bromonicotinamide28733-43-944 % similar

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

Same formula

4-Bromo-2-methoxy-1-nitrobenzene103966-66-1 Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-1 1-Bromo-3-methoxy-5-nitrobenzene16618-67-0 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 2-Bromo-1-methoxy-4-nitrobenzene5197-28-4 1-Bromo-4-methoxy-2-nitrobenzene5344-78-5 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-4 2-Hydroxy-5-nitrobenzyl bromide772-33-8

Elsewhere

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