2-Thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (4-nitrophenyl)methyl ester, (1S,4S)-
- Product Name2-Thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (4-nitrophenyl)methyl ester, (1S,4S)-
- CAS151072-00-3
- MFC13H12N2O5S
- MW308.31
- EINECS
- MOL File151072-00-3.mol
Chemical Properties
| Boiling point | 543.8±50.0 °C(Predicted) |
| Density | 1.523±0.06 g/cm3(Predicted) |
| pka | -1.44±0.20(Predicted) |
| InChI | InChI=1S/C13H12N2O5S/c16-12-11-5-10(21-12)6-14(11)13(17)20-7-8-1-3-9(4-2-8)15(18)19/h1-4,10-11H,5-7H2/t10-,11-/m0/s1 |
| InChIKey | UCDOMXQZYYKAEQ-QWRGUYRKSA-N |
| SMILES | [C@]12([H])C[C@]([H])(N(C(OCC3=CC=C([N+]([O-])=O)C=C3)=O)C1)C(=O)S2 |