| CAS Number | 1047655-95-7 |
| Catalog Number | AG00ISZQ(AGN-PC-0WB0NI) |
| Chemical Name | 3-(4-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one |
| IUPAC Name | 3-(4-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one |
| InChI | InChI=1S/C13H15FN2O2/c14-10-1-3-11(4-2-10)16-9-13(18-12(16)17)5-7-15-8-6-13/h1-4,15H,5-9H2 |
| InChI Key | FQIMMUOGSMFIEY-UHFFFAOYSA-N |
| MDL Number | MFCD20232922 |
| Molecular Formula | C13H15FN2O2 |
| Molecular Weight | 250.2688 |
| SMILES | FC1=CC=C(N2C(=O)OC3(CCNCC3)C2)C=C1 |
| Synonyms | 3-(4-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one,
1047655-95-7,
SCHEMBL736968,
FQIMMUOGSMFIEY-UHFFFAOYSA-N,
KS-000027DC,
ZX-RL003547,
MFCD20232922,
ZINC71788986,
AKOS015991515,
KF-0044,
MCULE-6509071807,
RP14260,
PC200360,
3-(4-Fluorophenyl)-1-oxa-3,8-diazaspiro-[4.5]decan-2-one,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.273g/mol |
| Monoisotopic Mass | 250.112g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number