Cas no 6280-48-4 (Benzoic acid,2-chloro-, 4-methylphenyl ester)

Benzoic acid,2-chloro-, 4-methylphenyl ester structure
6280-48-4 structure
Product Name:Benzoic acid,2-chloro-, 4-methylphenyl ester
CAS No:6280-48-4
MF:C14H11ClO2
MW:246.688943147659
CID:525309
PubChem ID:223475
Update Time:2025-04-19

Benzoic acid,2-chloro-, 4-methylphenyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-chloro-, 4-methylphenyl ester
    • (4-methylphenyl) 2-chlorobenzoate
    • 2-Chlor-benzoesaeure-p-tolylester
    • 2-chloro-benzoic acid p-tolyl ester
    • 2-Chlorobenzoic acid, 4-tolyl ester
    • 4-methylphenyl 2-chlorobenzoate
    • 4-methylphenyl ester
    • AC1L5CL6
    • AC1Q615E
    • CTK5B6125
    • NSC11156
    • SureCN9563122
    • Inchi: 1S/C14H11ClO2/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
    • InChI Key: XLJNELFCIDKGTK-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1C(=O)OC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 246.04483
  • Monoisotopic Mass: 246.0447573g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 259
  • 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: 4.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

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