| CAS Number | 1239772-19-0 |
| Catalog Number | AG009X4W(AGN-PC-0WNODM) |
| Chemical Name | Methyl 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate |
| IUPAC Name | methyl 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate |
| InChI | InChI=1S/C12H12FNO3/c1-17-12(16)8-6-11(15)14(7-8)10-5-3-2-4-9(10)13/h2-5,8H,6-7H2,1H3 |
| InChI Key | LCXXSCUYTVIHJT-UHFFFAOYSA-N |
| MDL Number | MFCD16630841 |
| Molecular Formula | C12H12FNO3 |
| Molecular Weight | 237.2270 |
| SMILES | COC(C1CC(=O)N(C2=C(F)C=CC=C2)C1)=O |
| Synonyms | methyl 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate,
1239772-19-0,
AKOS005132766,
Z8740,
C12H12FNO3,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.23g/mol |
| Monoisotopic Mass | 237.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number