| CAS Number | 342779-66-2 |
| Catalog Number | AG0183O6(AGN-PC-3H45BD) |
| Chemical Name | 3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one |
| IUPAC Name | 3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one |
| InChI | InChI=1S/C16H13F2NO2/c1-21-13-9-7-11(8-10-13)14-16(17,18)15(20)19(14)12-5-3-2-4-6-12/h2-10,14H,1H3 |
| InChI Key | AIIIYUSGINMZMS-UHFFFAOYSA-N |
| MDL Number | MFCD02324363 |
| Molecular Formula | C16H13F2NO2 |
| Molecular Weight | 289.2767 |
| SMILES | N1(C2=CC=CC=C2)C(C2=CC=C(OC)C=C2)C(F)(F)C1=O |
| Synonyms | 3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one,
NCRW0005-F05,
342779-66-2,
AC1NMXIM,
GTPL8775,
AKOS002663402,
AKOS016043063,
ZINC00991593,
CID5017692,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.282g/mol |
| Monoisotopic Mass | 289.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number