chempirical

p-Chlorophenyl salicylate

C13H9ClO3CAS 2944-58-3248.66 g/mol

Open in Covalent MOL file
OOClOH
Aryl halideEsterPhenol

Properties

Molecular formula
C13H9ClO3
Molar mass
248.66 g/mol
Exact mass
248.0240 Da
logP
3.26Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number
2944-58-3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)Cl)O
InChIKey
TUYYMOBSJNEIKN-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO3/c14-9-5-7-10(8-6-9)17-13(16)11-3-1-2-4-12(11)15/h1-8,15H

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Names and synonyms

7 names
  • (4-Chlorophenyl) 2-hydroxybenzoate
  • 4-Chlorophenyl salicylate
  • Benzoic acid, 2-hydroxy-, 4-chlorophenyl ester
  • 4-Chlorophenyl 2-hydroxybenzoate
  • 4-Chlorophenyl2-hydroxybenzoate
  • Salicylic acid, p-chlorophenyl ester
  • 2-Hydroxy-benzoic acid (4-chlorophenyl) ester

Reactions

Work with p-Chlorophenyl salicylate

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

Phenyl salicylate118-55-874 % similar p-Chlorophenyl benzoate2005-08-559 % similar Methyl salicylate119-36-853 % similar Salicylsalicylic acid552-94-352 % similar Diphenyl phthalate84-62-851 % similar Phenyl 4-aminosalicylate133-11-950 % similar Ethyl salicylate118-61-649 % similar Isopropyl salicylate607-85-249 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook