1346447-16-2
| Name | 4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylic acid |
| CAS | 1346447-16-2 |
| Molecular Formula | C13H8ClN3O4S |
| MDL Number | MFCD20487118 |
| Molecular Weight | 337.74 |
| MOL File | 1346447-16-2.mol |
Chemical Properties
| Boiling point | 622.2±65.0 °C(Predicted) |
| density | 1.68±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 2.68±0.30(Predicted) |
| InChI | 1S/C13H8ClN3O4S/c14-11-9-6-10(13(18)19)17(12(9)16-7-15-11)22(20,21)8-4-2-1-3-5-8/h1-7H,(H,18,19) |
| InChIKey | IRHIFBDAGLUAEB-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc2c(Cl)ncnc2n1S(=O)(=O)c3ccccc3 |