chempirical

P-Chlorobenzoyl peroxide

C14H8Cl2O4CAS 94-17-7311.11 g/mol

Open in Covalent MOL file
OOOOClCl
Aryl halidePeroxide

Properties

Molecular formula
C14H8Cl2O4
Molar mass
311.11 g/mol
Exact mass
309.9800 Da
Melting point
137–138 °C
logP
3.92Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
94-17-7
SMILES
O=C(OOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey
OXYKVVLTXXXVRT-UHFFFAOYSA-N
InChI
InChI=1S/C14H8Cl2O4/c15-11-5-1-9(2-6-11)13(17)19-20-14(18)10-3-7-12(16)8-4-10/h1-8H

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Names and synonyms

10 names
  • Peroxide, bis(4-chlorobenzoyl)
  • Peroxide, bis(p-chlorobenzoyl)
  • Bis(4-chlorobenzoyl) peroxide
  • Bis(p-chlorobenzoyl) peroxide
  • p,p′-Dichlorobenzoyl peroxide
  • 4-Chlorobenzoyl peroxide
  • p,p′-Dichlorodibenzoyl peroxide
  • Cadox PS
  • Di(p-chlorobenzoyl) peroxide
  • 4,4′-Dichlorobenzoyl peroxide

Work with P-Chlorobenzoyl peroxide

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

Methyl 4-chlorobenzoate1126-46-167 % similar Ethyl 4-chlorobenzoate7335-27-560 % similar 4,4′-Dichlorobenzil3457-46-356 % similar 4,4'-Dichlorobenzophenone90-98-256 % similar Benzoyl peroxide94-36-056 % similar p-Chlorophenyl benzoate2005-08-555 % similar 4-Chlorobenzoyl chloride122-01-052 % similar 4-Chlorobenzamide619-56-752 % similar

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

Elsewhere

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