| CAS Number | 1803587-86-1 |
| Catalog Number | AG01BFBQ |
| Chemical Name | 1-(3-fluoropyridin-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one |
| IUPAC Name | 1-(3-fluoropyridin-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one |
| InChI | InChI=1S/C12H13FN2O2/c13-9-4-3-7-14-10(9)15-11(16)17-8-12(15)5-1-2-6-12/h3-4,7H,1-2,5-6,8H2 |
| InChI Key | XJTGLWUGVPHUDN-UHFFFAOYSA-N |
| MDL Number | MFCD28118557 |
| Molecular Formula | C12H13FN2O2 |
| Molecular Weight | 236.2422 |
| SMILES | FC1=C(N2C3(CCCC3)COC2=O)N=CC=C1 |
| Synonyms | 1-(3-fluoropyridin-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one,
1803587-86-1,
ZINC98096604,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.246g/mol |
| Monoisotopic Mass | 236.096g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number