| CAS Number | 2044705-81-7 |
| Catalog Number | AG01BXP1 |
| Chemical Name | rac-tert-butyl (3aR,6aR)-3a-(chloromethyl)-hexahydro-1H-furo[3,4-c]pyrrole-5-carboxylate |
| IUPAC Name | tert-butyl (3aR,6aR)-3a-(chloromethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxylate |
| InChI | InChI=1S/C12H20ClNO3/c1-11(2,3)17-10(15)14-4-9-5-16-8-12(9,6-13)7-14/h9H,4-8H2,1-3H3/t9-,12+/m1/s1 |
| InChI Key | XTYMSPGVTAVTLJ-SKDRFNHKSA-N |
| MDL Number | MFCD30486542 |
| Molecular Formula | C12H20ClNO3 |
| Molecular Weight | 261.7451 |
| SMILES | ClC[C@@]12COC[C@H]2CN(C1)C(=O)OC(C)(C)C |
| Synonyms | ZINC536949545,
rac-tert-butyl (3aR,6aR)-3a-(chloromethyl)-hexahydro-1H-furo[3,4-c]pyrrole-5-carboxylate,
2044705-81-7,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.746g/mol |
| Monoisotopic Mass | 261.113g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number