| CAS Number | 1330765-30-4 |
| Catalog Number | AG00HSS7(AGN-PC-0WG4FO) |
| Chemical Name | tert-butyl 7-bromo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| IUPAC Name | tert-butyl 7-bromo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C11H18BrNO3/c1-10(2,3)16-9(14)13-6-11(7-13)4-8(12)5-15-11/h8H,4-7H2,1-3H3 |
| InChI Key | BFMNMRHGKNUVSC-UHFFFAOYSA-N |
| MDL Number | MFCD20230647 |
| Molecular Formula | C11H18BrNO3 |
| Molecular Weight | 292.1695 |
| SMILES | BrC1COC2(C1)CN(C2)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 7-bromo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate,
1330765-30-4,
SCHEMBL16414870,
MFCD20230647,
AKOS027255220,
AM805086,
CS-0036396,
t-Butyl 7-bromo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate,
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| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.173g/mol |
| Monoisotopic Mass | 291.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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