Cas no 457-97-6 (3-(4-Fluoro-benzyloxy)-benzoic acid)

3-(4-Fluoro-benzyloxy)-benzoic acid structure
457-97-6 structure
Product Name:3-(4-Fluoro-benzyloxy)-benzoic acid
CAS No:457-97-6
MF:C14H11FO3
MW:246.233747720718
MDL:MFCD04536523
CID:331465
Update Time:2025-04-19

3-(4-Fluoro-benzyloxy)-benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-[(4-fluorophenyl)methoxy]-
    • 3-(4-Fluoro-benzyloxy)-benzoic acid
    • 3-[(4-FLUOROBENZYL)OXY]BENZOIC ACID
    • 3-(4-Fluor-benzyloxy)-benzoesaeure
    • AC1LIXYA
    • AC1Q733N
    • AG-F-58427
    • SBB011875
    • SureCN1168262
    • MDL： MFCD04536523
    • Inchi： 1S/C14H11FO3/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8H,9H2,(H,16,17)
    • InChI Key： IRGZUAFLKNHSLJ-UHFFFAOYSA-N
    • SMILES： FC1C=CC(=CC=1)COC1C=CC=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 246.06923
  • Monoisotopic Mass: 245.061397
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 269
  • 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
  • Topological Polar Surface Area: 49.4

Experimental Properties

  • Density: 1.289
  • Boiling Point: 413.1°Cat760mmHg
  • Flash Point: 203.7°C
  • PSA: 46.53

3-(4-Fluoro-benzyloxy)-benzoic acid Pricemore >>

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