4-Bromo-3,5-dihydroxybenzamide

C₇H₆BrNO₃CAS 13429-12-4232.03 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₆BrNO₃
Molar mass: 232.03 g/mol
Exact mass: 230.9531 Da
logP: 1.74Crippen estimate
Polar surface area: 84.5 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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 2-Bromo-4-methyl-6-nitrophenol20039-91-2 4-Bromo-2-nitrobenzyl alcohol22996-19-6 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 Methyl 5-bromo-6-hydroxynicotinate381247-99-0 1-Bromo-3-methoxy-2-nitrobenzene500298-30-6

Elsewhere

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