| CAS Number | 1803580-72-4 |
| Catalog Number | AG01AFA6 |
| Chemical Name | tert-Butyl 3-([(3-fluorophenyl)carbamoyl]oxy)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-[(3-fluorophenyl)carbamoyloxy]azetidine-1-carboxylate |
| InChI | InChI=1S/C15H19FN2O4/c1-15(2,3)22-14(20)18-8-12(9-18)21-13(19)17-11-6-4-5-10(16)7-11/h4-7,12H,8-9H2,1-3H3,(H,17,19) |
| InChI Key | HSVIEXZTEJKLFK-UHFFFAOYSA-N |
| MDL Number | MFCD27920200 |
| Molecular Formula | C15H19FN2O4 |
| Molecular Weight | 310.3208 |
| SMILES | CC(OC(N1CC(OC(NC2=CC(F)=CC=C2)=O)C1)=O)(C)C |
| Synonyms | tert-butyl 3-{[(3-fluorophenyl)carbamoyl]oxy}azetidine-1-carboxylate,
1803580-72-4,
ZINC95883809,
AKOS033750242,
Z2043076300,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.325g/mol |
| Monoisotopic Mass | 310.133g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number