chempirical

4-Chlororesorcinol

C6H5ClO2CAS 95-88-5144.55 g/mol

Open in Covalent MOL file
HOClOH
Aryl halidePhenol

Properties

Molecular formula
C6H5ClO2
Molar mass
144.55 g/mol
Exact mass
143.9978 Da
Melting point
107 °C
Boiling point
147 °C
logP
1.75Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
95-88-5
SMILES
Oc1ccc(Cl)c(O)c1
InChIKey
JQVAPEJNIZULEK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

Weigh it out

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

Names and synonyms

12 names
  • 1,3-Benzenediol, 4-chloro-
  • Resorcinol, 4-chloro-
  • 4-Chloro-1,3-benzenediol
  • C.I. 76510
  • 4-Chloro-1,3-dihydroxybenzene
  • 4-Chlororesorcin
  • p-Chlororesorcinol
  • 6-Chlororesorcinol
  • 2,4-Dihydroxychlorobenzene
  • 1-Chloro-2,4-dihydroxybenzene
  • NSC 1569
  • NSC 6298

Work with 4-Chlororesorcinol

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

3,4-Dichlorophenol95-77-265 % similar 5-Bromo-2-chlorophenol183802-98-462 % similar 2,5-Dichlorophenol583-78-860 % similar 2-Chloro-5-fluorophenol3827-49-458 % similar Hydroxyquinol533-73-357 % similar 4-Chloro-3-fluorophenol348-60-756 % similar P-Chlorocresol59-50-756 % similar 2-Chloro-5-methylphenol615-74-756 % similar

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

Same formula

4-Chlorocatechol2138-22-9 Chlorohydroquinone615-67-8 2-Chlororesorcinol6201-65-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook