| CAS Number | 1270609-80-7 |
| Catalog Number | AG01AI7T(AGN-PC-0WO3H8) |
| Chemical Name | 3-Amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one |
| IUPAC Name | 3-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one |
| InChI | InChI=1S/C11H11F3N2O/c12-11(13,14)7-1-3-8(4-2-7)16-6-5-9(15)10(16)17/h1-4,9H,5-6,15H2 |
| InChI Key | ONDREYOIMVPCBX-UHFFFAOYSA-N |
| MDL Number | MFCD16202975 |
| Molecular Formula | C11H11F3N2O |
| Molecular Weight | 244.2130 |
| SMILES | NC1C(=O)N(C2=CC=C(C(F)(F)F)C=C2)CC1 |
| Synonyms | 3-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one,
1270609-80-7,
SCHEMBL14275587,
AKOS010811038,
NE49455,
EN300-76973,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.217g/mol |
| Monoisotopic Mass | 244.082g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number