| CAS Number | 1227617-38-0 |
| Catalog Number | AG01A34A(AGN-PC-0WO3V4) |
| Chemical Name | tert-butyl 3-(3,4-difluorophenyl)-3-hydroxyazetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(3,4-difluorophenyl)-3-hydroxyazetidine-1-carboxylate |
| InChI | InChI=1S/C14H17F2NO3/c1-13(2,3)20-12(18)17-7-14(19,8-17)9-4-5-10(15)11(16)6-9/h4-6,19H,7-8H2,1-3H3 |
| InChI Key | IGEGOOFDIBQXOY-UHFFFAOYSA-N |
| MDL Number | MFCD22628495 |
| Molecular Formula | C14H17F2NO3 |
| Molecular Weight | 285.2865 |
| SMILES | CC(OC(N1CC(C2=CC(F)=C(F)C=C2)(O)C1)=O)(C)C |
| Synonyms | TERT-BUTYL 3-(3,4-DIFLUOROPHENYL)-3-HYDROXYAZETIDINE-1-CARBOXYLATE,
1227617-38-0,
SCHEMBL1331315,
IGEGOOFDIBQXOY-UHFFFAOYSA-N,
MFCD22628495,
ZINC88611707,
AKOS015260473,
NE42544,
AS-42453,
t-Butyl 3-(3,4-difluorophenyl)-3-hydroxyazetidine-1-carboxylate,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.291g/mol |
| Monoisotopic Mass | 285.118g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number