| CAS Number | 1824027-05-5 |
| Catalog Number | AG00M0NX(AGN-PC-0WBQ0B) |
| Chemical Name | tert-Butyl 3-bromo-2-oxopyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-bromo-2-oxopyrrolidine-1-carboxylate |
| InChI | InChI=1S/C9H14BrNO3/c1-9(2,3)14-8(13)11-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3 |
| InChI Key | KYXFVRONPLZWTK-UHFFFAOYSA-N |
| MDL Number | MFCD28133340 |
| Molecular Formula | C9H14BrNO3 |
| Molecular Weight | 264.1164 |
| SMILES | BrC1C(N(CC1)C(=O)OC(C)(C)C)=O |
| Synonyms | tert-butyl 3-bromo-2-oxopyrrolidine-1-carboxylate,
1824027-05-5,
SCHEMBL17977215,
AKOS026676769,
F8881-7807,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.119g/mol |
| Monoisotopic Mass | 263.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number