4-Bromo-2-hydroxybenzoic acid

C7H5BrO3CAS 1666-28-0217.02 g/mol

Open in Covalent MOL file
BrOHOOH
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H5BrO3
Molar mass
217.02 g/mol
Exact mass
215.9422 Da
logP
1.85Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Dihydroxybenzoic acid89-86-168 % similar 2,4-Dibromobenzoic acid611-00-766 % similar 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid861533-46-265 % similar 2-Amino-4-bromobenzoic acid20776-50-564 % similar 2-Hydroxyterephthalic acid636-94-263 % similar 4-Bromo-2-fluorobenzoic acid112704-79-762 % 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 2-Bromo-5-hydroxybenzoic acid58380-11-3 5-Bromosalicylic acid89-55-4

Elsewhere

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