Cas no 52602-12-7 (Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester)

Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester structure
52602-12-7 structure
Product Name:Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester
CAS No:52602-12-7
MF:C15H11ClO4
MW:290.698443651199
CID:359272
PubChem ID:2984970
Update Time:2025-04-19

Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester
    • (4-chlorophenyl) 2-acetyloxybenzoate
    • AKOS002270713
    • 52602-12-7
    • DTXSID00388092
    • Inchi: 1S/C15H11ClO4/c1-10(17)19-14-5-3-2-4-13(14)15(18)20-12-8-6-11(16)7-9-12/h2-9H,1H3
    • InChI Key: RVRZOJSJHRRYKF-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)OC(C1C=CC=CC=1OC(C)=O)=O

Computed Properties

  • Exact Mass: 290.03463
  • Monoisotopic Mass: 290.0345865g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 350
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
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