chempirical

3-Hydroxy-2,4,6-tribromobenzoic acid

C7H3Br3O3CAS 14348-40-4374.81 g/mol

Open in Covalent MOL file
BrHOBrOOHBr
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H3Br3O3
Molar mass
374.81 g/mol
Exact mass
371.7632 Da
logP
3.38Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
14348-40-4
SMILES
C1=C(C(=C(C(=C1Br)O)Br)C(=O)O)Br
InChIKey
YDBHVMTTYXWHLI-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Br3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)

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Names and synonyms

1 names
  • 2,4,6-Tribromo-3-hydroxybenzoic acid

Work with 3-Hydroxy-2,4,6-tribromobenzoic 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

3,5-Dibromo-4-hydroxybenzoic acid3337-62-058 % similar 2,4,6-Tribromoresorcinol2437-49-255 % similar 2,4,6-Tribromobenzoic acid633-12-555 % similar 3,5-Dibromosalicylic acid3147-55-551 % similar Tetrabromoterephthalic acid5411-70-150 % similar 2,6-Dibromobenzoic acid601-84-348 % similar Tetrabromophthalic acid13810-83-848 % similar 2,4,6-Tribromo-3-hydroxybenzaldehyde2737-22-646 % similar

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

Elsewhere

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