| CAS Number | 1596752-15-6 |
| Catalog Number | AG01BCJS |
| Chemical Name | 2-(1-[(tert-Butoxy)carbonyl]azetidin-3-yl)-2-fluoroacetic acid |
| IUPAC Name | 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid |
| InChI | InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-4-6(5-12)7(11)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14) |
| InChI Key | JHUOTBNUINIFDO-UHFFFAOYSA-N |
| MDL Number | MFCD28954161 |
| Molecular Formula | C10H16FNO4 |
| Molecular Weight | 233.2367 |
| SMILES | CC(OC(N1CC(C(C(O)=O)F)C1)=O)(C)C |
| Synonyms | 2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-2-fluoroacetic acid,
1596752-15-6,
F1913-0180,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.239g/mol |
| Monoisotopic Mass | 233.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number