| CAS Number | 1225218-94-9 |
| Catalog Number | AG00AA12(AGN-PC-0WD7X3) |
| Chemical Name | tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H18BrNO3/c1-11(2,3)16-10(15)13-5-4-8(7-13)9(14)6-12/h8H,4-7H2,1-3H3 |
| InChI Key | CSIKGZJXGIQELU-UHFFFAOYSA-N |
| MDL Number | MFCD18910109 |
| Molecular Formula | C11H18BrNO3 |
| Molecular Weight | 292.1695 |
| SMILES | O=C(N1CC(C(CBr)=O)CC1)OC(C)(C)C |
| Synonyms | 1225218-94-9,
TERT-BUTYL 3-(2-BROMOACETYL)PYRROLIDINE-1-CARBOXYLATE,
tert-Butyl 3-(bromoacetyl)pyrrolidine-1-carboxylate,
SCHEMBL2282810,
DTXSID40700153,
AKOS027383015,
DA-14094,
FT-0756586,
tert-butyl3-(2-bromoacetyl)pyrrolidine-1-carboxylate,
CSIKGZJXGIQELU-UHFFFAOYSA-N,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.173g/mol |
| Monoisotopic Mass | 291.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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