| CAS Number | 1404196-40-2 |
| Catalog Number | AG00HVV0(AGN-PC-0WCJS3) |
| Chemical Name | 8-Boc-2-fluoro-8-aza-bicyclo[3.2.1]octan-3-ol |
| IUPAC Name | tert-butyl 2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate |
| InChI | InChI=1S/C12H20FNO3/c1-12(2,3)17-11(16)14-7-4-5-8(14)10(13)9(15)6-7/h7-10,15H,4-6H2,1-3H3 |
| InChI Key | PNYPYVVSZDGBSI-UHFFFAOYSA-N |
| MDL Number | MFCD22580393 |
| Molecular Formula | C12H20FNO3 |
| Molecular Weight | 245.2905 |
| SMILES | CC(OC(N1C2C(C(CC1CC2)O)F)=O)(C)C |
| Synonyms | 8-BOC-2-FLUORO-8-AZA-BICYCLO[3.2.1]OCTAN-3-OL,
1404196-40-2,
tert-butyl 2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate,
SCHEMBL19127155,
AKOS025311351,
FCH2893281,
PC430202,
CS-0037193,
8-Boc-2-fluoro-8-azabicyclo[3.2.1]octan-3-ol,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.294g/mol |
| Monoisotopic Mass | 245.143g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number