3-(PYRIMIDIN-2-YL)BENZOIC ACID
Catalog No: FT-0691938
CAS No: 579476-26-9
- Chemical Name: 3-(PYRIMIDIN-2-YL)BENZOIC ACID
- Molecular Formula: C11H8N2O2
- Molecular Weight: 200.19
- InChI Key: KLTNGIZIUGYITR-UHFFFAOYSA-N
- InChI: InChI=1S/C11H8N2O2/c14-11(15)9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H,(H,14,15)
| 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: | 3-Pyrimidin-2-yl-benzoic acid |
|---|---|
| Flash_Point: | 147.1±25.7 °C |
| Melting_Point: | N/A |
| FW: | 200.193 |
| Density: | 1.3±0.1 g/cm3 |
| CAS: | 579476-26-9 |
| Bolling_Point: | 319.6±34.0 °C at 760 mmHg |
| MF: | C11H8N2O2 |
| Density: | 1.3±0.1 g/cm3 |
|---|---|
| Computational_Chemistry: | ['1 . XlogP 2 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 659 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area -1 ', '9 . Complexity 221 ', '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'] |
| LogP: | 2.27 |
| Flash_Point: | 147.1±25.7 °C |
| Refractive_Index: | 1.620 |
| FW: | 200.193 |
| PSA: | 63.08000 |
| MF: | C11H8N2O2 |
| Bolling_Point: | 319.6±34.0 °C at 760 mmHg |
| Vapor_Pressure: | 0.0±0.7 mmHg at 25°C |
| Exact_Mass: | 200.058578 |
| Hazard_Codes: | Xi |
|---|---|
| HS_Code: | 2933599090 |
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