| CAS Number | 1823258-71-4 |
| Catalog Number | AG019EX9(AGN-PC-0WG4JV) |
| Chemical Name | tert-Butyl 7-(4-bromophenyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate |
| IUPAC Name | tert-butyl 7-(4-bromophenyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C17H21BrN2O3/c1-16(2,3)23-15(22)20-9-17(10-20)8-13(19-14(17)21)11-4-6-12(18)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,19,21) |
| InChI Key | QZIQUKHSXOUBBN-UHFFFAOYSA-N |
| MDL Number | MFCD27997382 |
| Molecular Formula | C17H21BrN2O3 |
| Molecular Weight | 381.2642 |
| SMILES | CC(C)(C)OC(=O)N1CC2(C1)CC(NC2=O)c1ccc(Br)cc1 |
| Synonyms | 1823258-71-4,
tert-Butyl 7-(4-bromophenyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate,
MFCD27997382,
CS-0036330,
t-Butyl 7-(4-bromophenyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate,
Tert-Butyl 7-(4-Bromophenyl)-5-Oxo-2,6-Diazaspiro[3.4]Octane-2-Carboxylate(WX106393),
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| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.27g/mol |
| Monoisotopic Mass | 380.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number