4-Bromo-2-hydroxybenzoic acid

C₇H₅BrO₃CAS 1666-28-0217.02 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
logP: 1.85Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

1666-28-0

SMILES

C1=CC(=C(C=C1Br)O)C(=O)O

InChIKey

FYAKLZKQJDBBKW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Bromo-2-hydroxybenzoic 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 2,4-Dibromobenzoic acid611-00-766 % similar 2-Amino-4-bromobenzoic acid20776-50-564 % similar 4-Bromo-2-iodobenzoic acid1133123-02-062 % similar 4-Bromo-2-chlorobenzoic acid59748-90-262 % similar 4-Bromo-2-methylbenzoic acid68837-59-262 % similar 2,5-Dibromobenzoic acid610-71-961 % 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 5-Bromosalicylic acid89-55-4

Elsewhere

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