| CAS Number | 1818847-23-2 |
| Catalog Number | AG002369(AGN-PC-0WNH3Q) |
| Chemical Name | tert-butyl (3S,4R)-rel-3-bromo-4-fluoropyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (3S,4R)-3-bromo-4-fluoropyrrolidine-1-carboxylate |
| InChI | InChI=1S/C9H15BrFNO2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1 |
| InChI Key | GFICPINAPXXEHE-NKWVEPMBSA-N |
| MDL Number | MFCD29060210 |
| Molecular Formula | C9H15BrFNO2 |
| Molecular Weight | 268.1233 |
| SMILES | CC(OC(N1C[C@H](Br)[C@H](F)C1)=O)(C)C |
| Synonyms | tert-Butyl cis-3-bromo-4-fluoropyrrolidine-1-carboxylate,
1818847-23-2,
tert-butyl (3S,4R)-rel-3-bromo-4-fluoropyrrolidine-1-carboxylate,
MFCD29060210,
AKOS027337276,
ZINC238123407,
AS-52750,
CS-0048111,
KS-00000872,
na,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.126g/mol |
| Monoisotopic Mass | 267.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number