5-Bromosalicylic acid

C₇H₅BrO₃CAS 89-55-4217.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅BrO₃
Molar mass: 217.02 g/mol
Exact mass: 215.9422 Da
Melting point: 169.8 °C
logP: 1.85Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

89-55-4

SMILES

O=C(O)c1cc(Br)ccc1O

InChIKey

IEJOONSLOGAXNO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

6 names

Benzoic acid, 5-bromo-2-hydroxy-
Salicylic acid, 5-bromo-
5-Bromo-2-hydroxybenzoic acid
2-Hydroxy-5-bromobenzoic acid
NSC 3981
NSC 52393

Work with 5-Bromosalicylic acid

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

4-Bromophthalic acid6968-28-170 % similar 7-Bromo-3-hydroxy-2-naphthalenecarboxylic acid1779-11-969 % similar Gentisic acid490-79-968 % similar 2,5-Dibromobenzoic acid610-71-966 % similar 5-Bromo-2-hydroxybenzamide6329-74-464 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-562 % similar 5-Bromo-2-fluorobenzoic acid146328-85-062 % similar

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

Same formula

3-Bromo-5-hydroxybenzoic acid140472-69-1 4-Bromo-3-hydroxybenzoic acid14348-38-0 3-Bromo-4-hydroxybenzoic acid14348-41-5

Elsewhere

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