| CAS Number | 1445951-08-5 |
| Catalog Number | AG00HX49(AGN-PC-0WG3TR) |
| Chemical Name | tert-Butyl 3-(2-ethoxy-2-oxoethyl)-3-fluoroazetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(2-ethoxy-2-oxoethyl)-3-fluoroazetidine-1-carboxylate |
| InChI | InChI=1S/C12H20FNO4/c1-5-17-9(15)6-12(13)7-14(8-12)10(16)18-11(2,3)4/h5-8H2,1-4H3 |
| InChI Key | VNQGDAJWTASOMT-UHFFFAOYSA-N |
| MDL Number | MFCD25509418 |
| Molecular Formula | C12H20FNO4 |
| Molecular Weight | 261.2899 |
| SMILES | CCOC(=O)CC1(F)CN(C1)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 3-(2-ethoxy-2-oxoethyl)-3-fluoroazetidine-1-carboxylate,
1445951-08-5,
MFCD25509418,
ZINC95740507,
AS-39835,
CS-0038200,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.293g/mol |
| Monoisotopic Mass | 261.138g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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