| 中文别名 | Desmethyl Celecoxib(cas:170569-87-6) |
| CAS号 | 170569-87-6 |
| SMILES | c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F |
| Inchi | InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24) |
| InchiKey | MQPLMBSDWYIIID-UHFFFAOYSA-N |
| 分子式 Formula | C16H12F3N3O2S |
| 分子量 Molecular Weight | 367.35 |
| 闪点 FP | 269.8±32.9 ℃ |
| 沸点 Boiling point | 522.5±60.0 ℃ at 760 mmHg |
| Polarizability极化度 | 34.7±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.4 mmHg at 25℃ |
| 储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |
