869682-02-0
| Name | (2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-(2,5-DIFLUORO-PHENOXY)-2-PYRROLIDINECARBOXYLIC ACID |
| CAS | 869682-02-0 |
| Molecular Formula | C16H19F2NO5 |
| MDL Number | MFCD08687095 |
| Molecular Weight | 343.32 |
| MOL File | 869682-02-0.mol |
Chemical Properties
| Boiling point | 455.3±45.0 °C(Predicted) |
| density | 1.335±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 3?+-.0.40(Predicted) |
| InChI | 1S/C16H19F2NO5/c1-16(2,3)24-15(22)19-8-10(7-12(19)14(20)21)23-13-6-9(17)4-5-11(13)18/h4-6,10,12H,7-8H2,1-3H3,(H,20,21)/t10-,12-/m0/s1 |
| InChIKey | JNFRPDDWUFDMJO-JQWIXIFHSA-N |
| SMILES | FC1=CC=C(F)C=C1O[C@@H]2CN(C(OC(C)(C)C)=O)[C@H](C(O)=O)C2 |
Safety Data
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |