chempirical

4-Bromoresorcinol

C6H5BrO2CAS 6626-15-9189.01 g/mol

Open in Covalent MOL file
HOBrOH
Aryl halidePhenol

Properties

Molecular formula
C6H5BrO2
Molar mass
189.01 g/mol
Exact mass
187.9473 Da
Melting point
103 °C
Boiling point
155 °C (at 6 Torr)
logP
1.86Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
6626-15-9
SMILES
Oc1ccc(Br)c(O)c1
InChIKey
MPCCNXGZCOXPMG-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

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Names and synonyms

9 names
  • 1,3-Benzenediol, 4-bromo-
  • Resorcinol, 4-bromo-
  • 4-Bromo-1,3-benzenediol
  • 4-Bromo-1,3-dihydroxybenzene
  • 1-Bromo-2,4-dihydroxybenzene
  • 2,4-Dihydroxybromobenzene
  • 4-Bromo-3-hydroxyphenol
  • 4-Bromobenzene-1,3-diol
  • NSC 59699

Reactions

Work with 4-Bromoresorcinol

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

Hydroxyquinol533-73-357 % similar 3-Amino-4-bromophenol100367-37-156 % similar 4-Bromo-3-fluorophenol121219-03-256 % similar 4-Bromo-3-chlorophenol13631-21-556 % similar 2-Bromo-5-chlorophenol13659-23-956 % similar 4-Bromo-3-methylphenol14472-14-156 % similar 2-Bromo-5-fluorophenol147460-41-156 % similar 4-Bromo-3-methoxyphenol102127-34-450 % similar

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

Same formula

5-Bromoresorcinol106120-04-1 4-Bromocatechol17345-77-6 2-Bromo-1,4-benzenediol583-69-7

Elsewhere

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