chempirical

2-Bromo-1,4-benzenediol

C6H5BrO2CAS 583-69-7189.01 g/mol

Open in Covalent MOL file
HOOHBr
Aryl halidePhenol

Properties

Molecular formula
C6H5BrO2
Molar mass
189.01 g/mol
Exact mass
187.9473 Da
Melting point
111.5 °C
logP
1.86Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
583-69-7
SMILES
Oc1ccc(O)c(Br)c1
InChIKey
REFDOIWRJDGBHY-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H

Weigh it out

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Names and synonyms

9 names
  • 1,4-Benzenediol, 2-bromo-
  • Hydroquinone, bromo-
  • Bromohydroquinone
  • 2-Bromoquinol
  • 2-Bromohydroquinone
  • 2-Bromo-1,4-hydroquinone
  • 2-Bromo-1,4-dihydroxybenzene
  • 1-Bromo-2,5-dihydroxybenzene
  • NSC 3977

Work with 2-Bromo-1,4-benzenediol

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

2,4-Dibromophenol615-58-767 % similar Hydroxyquinol533-73-357 % similar 4-Amino-2-bromophenol16750-67-756 % similar 2-Bromo-4-fluorophenol496-69-556 % similar 2-Bromo-4-methylphenol6627-55-056 % similar 2-Bromo-4-chlorophenol695-96-556 % similar 2-Bromo-4-hydroxybenzaldehyde22532-60-155 % similar 3-Bromo-4-hydroxybenzonitrile2315-86-855 % similar

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

Same formula

5-Bromoresorcinol106120-04-1 3-Bromobenzene-1,2-diol14381-51-2 4-Bromocatechol17345-77-6 4-Bromoresorcinol6626-15-9

Elsewhere

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