(4-cyanophenyl) 4-octylbenzoate (CAS: 50793-86-7) - Chemical Structure and Molecular Formula
(4-cyanophenyl) 4-octylbenzoate (CAS: 50793-86-7) - Chemical Structure Thumbnail

(4-cyanophenyl) 4-octylbenzoate

Catalog No:   FT-0729146

CAS No:   50793-86-7

  • Chemical Name:  (4-cyanophenyl) 4-octylbenzoate
  • Molecular Formula:  C22H25NO2
  • Molecular Weight:  335.4
  • InChI Key:  SWACKDWUUGZDRD-UHFFFAOYSA-N
  • InChI:  InChI=1S/C22H25NO2/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)22(24)25-21-15-11-19(17-23)12-16-21/h9-16H,2-8H2,1H3
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: (4-cyanophenyl) 4-octylbenzoate
MF: C22H25NO2
Bolling_Point: 487.9ºC at 760 mmHg
Density: 1.08g/cm3
FW: 335.43900
Melting_Point: N/A
Flash_Point: 244.8ºC
CAS: 50793-86-7
Flash_Point: 244.8ºC
MF: C22H25NO2
PSA: 50.09000
LogP: 5.68048
Bolling_Point: 487.9ºC at 760 mmHg
Density: 1.08g/cm3
Exact_Mass: 335.18900
FW: 335.43900
Computational_Chemistry: ['1. XlogP :71 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :3 ', '6. TPSA 501 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :423 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Refractive_Index: 1.556
HS_Code: 2926909090

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