(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
| 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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