Cas no 106315-94-0 (Benzoic acid, 2-fluoro-4-[[4-(octyloxy)benzoyl]oxy]-)

Benzoic acid, 2-fluoro-4-[[4-(octyloxy)benzoyl]oxy]- structure
106315-94-0 structure
Product Name:Benzoic acid, 2-fluoro-4-[[4-(octyloxy)benzoyl]oxy]-
CAS No:106315-94-0
MF:C22H25FO5
MW:388.429310560226
CID:1181705
Update Time:2024-08-05

Benzoic acid, 2-fluoro-4-[[4-(octyloxy)benzoyl]oxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-fluoro-4-[[4-(octyloxy)benzoyl]oxy]-
    • Inchi: 1S/C22H25FO5/c1-2-3-4-5-6-7-14-27-17-10-8-16(9-11-17)22(26)28-18-12-13-19(21(24)25)20(23)15-18/h8-13,15H,2-7,14H2,1H3,(H,24,25)
    • InChI Key: VDEPFLLFOFYELM-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=CC=C(OC(=O)C2=CC=C(OCCCCCCCC)C=C2)C=C1F

Computed Properties

  • Exact Mass: 388.16865

Experimental Properties

  • Density: 1.180±0.06 g/cm3(Predicted)
  • Boiling Point: 530.3±50.0 °C(Predicted)
  • PSA: 72.83
  • pka: 3.08±0.10(Predicted)
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