Celecoxib Impurity
化学名:Celecoxib Impurity
CAS番号.170570-09-9
英語名:Celecoxib Impurity
CBNumberCB63313563
MFC18H16F3N3O2S
MW395.4
MOL File170570-09-9.mol
Celecoxib Impurity物理性質
| 沸点 | 521.9±60.0 °C(Predicted) |
| 比重(密度) | 1.40±0.1 g/cm3(Predicted) |
| 貯蔵温度 | 2-8°C |
| 溶解性 | Chloroform (Slightly), Methanol (Slightly) |
| 酸解離定数(Pka) | 9.68±0.10(Predicted) |
| 外見 | Solid |
| 色 | Off-White to Pale Beige |
| InChI | InChI=1S/C18H16F3N3O2S/c1-11-3-8-15(12(2)9-11)16-10-17(18(19,20)21)23-24(16)13-4-6-14(7-5-13)27(22,25)26/h3-10H,1-2H3,(H2,22,25,26) |
| InChIKey | CDMHSMOZNZFYIK-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=CC=C(N2C(C3=CC=C(C)C=C3C)=CC(C(F)(F)F)=N2)C=C1 |