| CAS Number | 1341038-77-4 |
| Catalog Number | AG019ET4(AGN-PC-0WG4VL) |
| Chemical Name | tert-butyl (3aR,8bR)-8-fluoro-4-oxo-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole-2-carboxylate |
| IUPAC Name | tert-butyl (3aR,8bR)-8-fluoro-4-oxo-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole-2-carboxylate |
| InChI | InChI=1S/C16H18FNO3/c1-16(2,3)21-15(20)18-7-10-11(8-18)14(19)9-5-4-6-12(17)13(9)10/h4-6,10-11H,7-8H2,1-3H3/t10-,11+/m1/s1 |
| InChI Key | RFJVEISIPKFDLY-MNOVXSKESA-N |
| MDL Number | MFCD22209663 |
| Molecular Formula | C16H18FNO3 |
| Molecular Weight | 291.3174 |
| SMILES | O=C(N1C[C@H]2[C@@H](C1)c1c(C2=O)cccc1F)OC(C)(C)C |
| Synonyms | tert-butyl (3aR,8bR)-8-fluoro-4-oxo-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole-2-carboxylate,
1341038-77-4,
CIS-TERT-BUTYL 4-FLUORO-8-OXO-3,3A,8,8A-TETRAHYDROINDENO[1,2-C]PYRROLE-2(1H)-CARBOXYLATE,
ZINC95631329,
CS-0037146,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.322g/mol |
| Monoisotopic Mass | 291.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number