Celecoxib Impurity
Bezeichnung:Celecoxib Impurity
CAS-Nr170570-09-9
Englisch Name:Celecoxib Impurity
CBNumberCB63313563
SummenformelC18H16F3N3O2S
Molgewicht395.4
MOL-Datei170570-09-9.mol
Celecoxib Impurity physikalisch-chemischer Eigenschaften
| Siedepunkt | 521.9±60.0 °C(Predicted) |
| Dichte | 1.40±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pka | 9.68±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | 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 |