| CAS Number | 1272757-81-9 |
| Catalog Number | AG00HRO5(AGN-PC-0WG4P4) |
| Chemical Name | cis-2-(tert-Butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
| IUPAC Name | (3S,6S)-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
| InChI | InChI=1S/C12H18FNO4/c1-12(2,3)18-11(17)14-8-5-6(4-7(8)13)9(14)10(15)16/h6-9H,4-5H2,1-3H3,(H,15,16)/t6?,7-,8?,9-/m0/s1 |
| InChI Key | PMCISSGWBZOERM-QKZHKQSRSA-N |
| MDL Number | MFCD20231066 |
| Molecular Formula | C12H18FNO4 |
| Molecular Weight | 259.2740 |
| SMILES | CC(C)(C)OC(=O)N1C2CC(C[C@@H]2F)[C@H]1C(O)=O |
| Synonyms | Racemic-(1S,3S,4R,6S)-2-(Tert-Butoxycarbonyl)-6-Fluoro-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid,
1272757-81-9,
AM805421,
CS-0036856,
2-(tert-butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylicacid,
(1S,3S,4R,6S)-2-(tert-Butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylic acid,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.277g/mol |
| Monoisotopic Mass | 259.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number