chempirical

4-Bromocatechol

C6H5BrO2CAS 17345-77-6189.01 g/mol

Open in Covalent MOL file
HOBrHO
Aryl halidePhenol

Properties

Molecular formula
C6H5BrO2
Molar mass
189.01 g/mol
Exact mass
187.9473 Da
Melting point
86 °C
logP
1.86Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
17345-77-6
SMILES
Oc1ccc(Br)cc1O
InChIKey
AQVKHRQMAUJBBP-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H

Weigh it out

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

Names and synonyms

9 names
  • 1,2-Benzenediol, 4-bromo-
  • Pyrocatechol, 4-bromo-
  • 4-Bromo-1,2-benzenediol
  • 4-Bromopyrocatechol
  • 1-Bromo-3,4-dihydroxybenzene
  • p-Bromocatechol
  • 4-Bromo-1,2-dihydroxybenzene
  • 3,4-Dihydroxybromobenzene
  • 5-Bromo-2-hydroxyphenol

Work with 4-Bromocatechol

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-Dibromophenol615-58-765 % similar 4-Bromo-2-chlorophenol3964-56-563 % similar 5-Bromo-2-chlorophenol183802-98-460 % similar 4-Bromo-2-fluorophenol2105-94-460 % similar 4-Bromo-2-methylphenol2362-12-160 % similar 2-Amino-5-bromophenol38191-34-360 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-356 % similar 5-Bromo-2-hydroxybenzyl alcohol2316-64-556 % 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 2-Bromo-1,4-benzenediol583-69-7 4-Bromoresorcinol6626-15-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook