Cas no 500556-98-9 (Benzoic acid, 4-(4-fluorophenoxy)-, methyl ester)

Benzoic acid, 4-(4-fluorophenoxy)-, methyl ester structure
500556-98-9 structure
Product Name:Benzoic acid, 4-(4-fluorophenoxy)-, methyl ester
CAS No:500556-98-9
MF:C14H11FO3
MW:246.233747720718
CID:1545175
PubChem ID:28911216
Update Time:2025-04-21

Benzoic acid, 4-(4-fluorophenoxy)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-(4-fluorophenoxy)-, methyl ester
    • METHYL4-(4-FLUOROPHENOXY)BENZOATE
    • MFCD11574730
    • AKOS002679519
    • SCHEMBL21288599
    • METHYL 4-(4-FLUOROPHENOXY)BENZOATE
    • E90527
    • CS-0192673
    • DB-143210
    • 500556-98-9
    • Inchi: 1S/C14H11FO3/c1-17-14(16)10-2-6-12(7-3-10)18-13-8-4-11(15)5-9-13/h2-9H,1H3
    • InChI Key: UUYOTOWEYHRUOX-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)OC1C=CC(C(=O)OC)=CC=1

Computed Properties

  • Exact Mass: 246.06923
  • Monoisotopic Mass: 246.06922237g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 266
  • 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: 3.8
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

Benzoic acid, 4-(4-fluorophenoxy)-, methyl ester Pricemore >>

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