| CAS Number | 1803587-41-8 |
| Catalog Number | AG01BF5T |
| Chemical Name | tert-butyl N-{[3-(4-bromophenyl)oxetan-3-yl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[3-(4-bromophenyl)oxetan-3-yl]methyl]carbamate |
| InChI | InChI=1S/C15H20BrNO3/c1-14(2,3)20-13(18)17-8-15(9-19-10-15)11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,18) |
| InChI Key | IHGNVKKBXUGWFC-UHFFFAOYSA-N |
| MDL Number | MFCD28383711 |
| Molecular Formula | C15H20BrNO3 |
| Molecular Weight | 342.2282 |
| SMILES | CC(OC(NCC1(C2=CC=C(Br)C=C2)COC1)=O)(C)C |
| Synonyms | tert-butyl N-{[3-(4-bromophenyl)oxetan-3-yl]methyl}carbamate,
1803587-41-8,
ZINC238853078,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.233g/mol |
| Monoisotopic Mass | 341.063g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number