| CAS Number | 2177266-76-9 |
| Catalog Number | AG01FLFC(AGN-PC-3H4B5A) |
| Chemical Name | ethyl 5-((tert-butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylate |
| IUPAC Name | ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate |
| InChI | InChI=1S/C15H22N2O5/c1-5-20-13(18)12-10-8-9(6-7-11(10)22-17-12)16-14(19)21-15(2,3)4/h9H,5-8H2,1-4H3,(H,16,19) |
| InChI Key | KGZNOOJPZUQXBP-UHFFFAOYSA-N |
| MDL Number | MFCD31731586 |
| Molecular Formula | C15H22N2O5 |
| Molecular Weight | 310.3456 |
| SMILES | |
| Synonyms | Ethyl 5-((tert-butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylate,
CS-0080235,
2177266-76-9,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.152872g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.35g/mol |
| Monoisotopic Mass | 310.152872g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 90.7Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number