| CAS Number | 1270676-00-0 |
| Catalog Number | AG01AIXH(AGN-PC-0WO1D4) |
| Chemical Name | 3-amino-1-[2-(difluoromethoxy)phenyl]pyrrolidin-2-one |
| IUPAC Name | 3-amino-1-[2-(difluoromethoxy)phenyl]pyrrolidin-2-one |
| InChI | InChI=1S/C11H12F2N2O2/c12-11(13)17-9-4-2-1-3-8(9)15-6-5-7(14)10(15)16/h1-4,7,11H,5-6,14H2 |
| InChI Key | XCEKZXIOKJIYBQ-UHFFFAOYSA-N |
| MDL Number | MFCD16203076 |
| Molecular Formula | C11H12F2N2O2 |
| Molecular Weight | 242.2220 |
| SMILES | NC1C(=O)N(C2=C(OC(F)F)C=CC=C2)CC1 |
| Synonyms | 3-amino-1-[2-(difluoromethoxy)phenyl]pyrrolidin-2-one,
1270676-00-0,
AKOS010814512,
NE51713,
EN300-79275,
Z2027896799,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.226g/mol |
| Monoisotopic Mass | 242.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number