p-Chlorophenyl benzoate

C13H9ClO2CAS 2005-08-5232.66 g/mol

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OOCl
Aryl halideEster

Properties

Molecular formula
C13H9ClO2
Molar mass
232.66 g/mol
Exact mass
232.0291 Da
Melting point
87–87.5 °C
logP
3.56Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2005-08-5
SMILES
O=C(Oc1ccc(Cl)cc1)c1ccccc1
InChIKey
JKSIXXOEIXUYFW-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H

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Names and synonyms

6 names
  • Benzoic acid, 4-chlorophenyl ester
  • Benzoic acid, p-chlorophenyl ester
  • Phenol, p-chloro-, benzoate
  • p-Chlorophenol benzoate
  • 4-Chlorophenyl benzoate
  • NSC 406605

Work with p-Chlorophenyl benzoate

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 benzoate93-99-271 % similar Benzoic acid biphenyl-4-yl ester2170-13-068 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-466 % similar Diphenyl isophthalate744-45-665 % similar 1,3-Phenylene dibenzoate94-01-965 % similar p-Hydroxyphenyl benzoate2444-19-164 % similar p-Chlorophenyl salicylate2944-58-359 % similar β-Naphthyl benzoate93-44-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Chloro-biphenyl-3-carboxylic acid168619-03-2 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-5 2'-Chloro-biphenyl-4-carboxylic acid3808-93-3 4-Chloro-4′-hydroxybenzophenone42019-78-3 4'-Chloro-biphenyl-3-carboxylic acid4655-10-1 3'-Chloro-biphenyl-4-carboxylic acid5728-43-8 4'-Chloro-biphenyl-4-carboxylic acid5748-41-4 4-(4-Chlorophenoxy)benzaldehyde61343-99-5

Elsewhere

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