| CAS Number | 1259366-15-8 |
| Catalog Number | AG00HIR8(AGN-PC-0WG44M) |
| Chemical Name | tert-Butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate |
| IUPAC Name | tert-butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate |
| InChI | InChI=1S/C13H20INO3/c1-12(2,3)18-11(17)15-9-7-13(4,10(15)16)6-5-8(9)14/h8-9H,5-7H2,1-4H3 |
| InChI Key | MIGDPJVIDIQFNX-UHFFFAOYSA-N |
| MDL Number | MFCD29917019 |
| Molecular Formula | C13H20INO3 |
| Molecular Weight | 365.2073 |
| SMILES | CC(C)(C)OC(=O)N1C2CC(C)(CCC2I)C1=O |
| Synonyms | tert-butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate,
1259366-15-8,
SCHEMBL10008762,
MIGDPJVIDIQFNX-UHFFFAOYSA-N,
AS-72963,
CS-0037308,
tert butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.04879g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.21g/mol |
| Monoisotopic Mass | 365.04879g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6Ų |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number