chempirical

3-Chlorophenol

C6H5ClOCAS 108-43-0128.56 g/mol

Open in Covalent MOL file
HOCl
Aryl halidePhenol

Properties

Molecular formula
C6H5ClO
Molar mass
128.56 g/mol
Exact mass
128.0029 Da
Density
1.268 g/mL (at 25 °C)
Melting point
32.6 °C
Boiling point
214 °C
logP
2.05Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
108-43-0
SMILES
Oc1cccc(Cl)c1
InChIKey
HORNXRXVQWOLPJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO/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 and density.

Names and synonyms

6 names
  • Phenol, 3-chloro-
  • Phenol, m-chloro-
  • m-Chlorophenol
  • 3-Hydroxychlorobenzene
  • m-Chlorophenic acid
  • NSC 59700

Work with 3-Chlorophenol

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

Resorcinol108-46-363 % similar 1,3-Dichlorobenzene541-73-158 % similar 3,5-Dichlorophenol591-35-557 % similar 3-Fluorophenol372-20-350 % similar 3-(Dimethylamino)phenol99-07-048 % similar M-Cresol108-39-448 % similar 3-Phenylphenol580-51-848 % similar 3-Bromophenol591-20-848 % similar

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

Same formula

4-Chlorophenol106-48-9 2-Chlorophenol95-57-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia