Cas no 62095-44-7 (Acetic acid, phenoxy-, 4-bromophenyl ester)

Acetic acid, phenoxy-, 4-bromophenyl ester structure
62095-44-7 structure
Product Name:Acetic acid, phenoxy-, 4-bromophenyl ester
CAS No:62095-44-7
MF:C14H11BrO3
MW:307.139343500137
CID:458352
PubChem ID:19178938
Update Time:2025-04-19

Acetic acid, phenoxy-, 4-bromophenyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, phenoxy-, 4-bromophenyl ester
    • (4-bromophenyl) 2-phenoxyacetate
    • DTXSID50598189
    • AKOS002954622
    • 4-Bromophenyl phenoxyacetate
    • 62095-44-7
    • Inchi: 1S/C14H11BrO3/c15-11-6-8-13(9-7-11)18-14(16)10-17-12-4-2-1-3-5-12/h1-9H,10H2
    • InChI Key: UPHPPWCXDHXQNA-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)OC(COC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 305.98913
  • Monoisotopic Mass: 305.98916g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 256
  • 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: 4.1
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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