| CAS Number | 853910-13-1 |
| Catalog Number | AG01AHN4(AGN-PC-0976L4) |
| Chemical Name | 1-(4-Amino-2-fluorophenyl)pyrrolidin-2-one |
| IUPAC Name | 1-(4-amino-2-fluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H11FN2O/c11-8-6-7(12)3-4-9(8)13-5-1-2-10(13)14/h3-4,6H,1-2,5,12H2 |
| InChI Key | MEBCVJIICUSZKK-UHFFFAOYSA-N |
| MDL Number | MFCD16074941 |
| Molecular Formula | C10H11FN2O |
| Molecular Weight | 194.2055 |
| SMILES | NC1=CC(F)=C(N2C(=O)CCC2)C=C1 |
| Synonyms | 1-(4-AMINO-2-FLUOROPHENYL)PYRROLIDIN-2-ONE,
853910-13-1,
SCHEMBL77294,
MEBCVJIICUSZKK-UHFFFAOYSA-N,
ZINC43474304,
AKOS010945158,
MCULE-3318071734,
NE34047,
EN300-75236,
1-(4-Amino-2-fluoro-phenyl)-pyrrolidin-2-one,
Z1267773778,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.209g/mol |
| Monoisotopic Mass | 194.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number