chempirical

3-Bromophenol

C6H5BrOCAS 591-20-8173.01 g/mol

Open in Covalent MOL file
HOBr
Aryl halidePhenol

Properties

Molecular formula
C6H5BrO
Molar mass
173.01 g/mol
Exact mass
171.9524 Da
Melting point
33 °C
Boiling point
236.5 °C
logP
2.15Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
591-20-8
SMILES
Oc1cccc(Br)c1
InChIKey
MNOJRWOWILAHAV-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H

Weigh it out

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

Names and synonyms

3 names
  • Phenol, 3-bromo-
  • Phenol, m-bromo-
  • m-Bromophenol

Work with 3-Bromophenol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dibromobenzene108-36-160 % similar Resorcinol108-46-360 % similar 5-Bromoresorcinol106120-04-155 % similar 3,5-Dibromophenol626-41-555 % similar 2-Bromo-7-hydroxynaphthalene116230-30-954 % similar 4-Bromo-2-chlorophenol3964-56-548 % similar 3-Bromo-5-chlorophenol56962-04-048 % similar 1-Bromo-3-fluorobenzene1073-06-948 % similar

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

Same formula

4-Bromophenol106-41-2 2-Bromophenol95-56-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook