| CAS Number | 133747-62-3 |
| Catalog Number | AG009X89(AGN-PC-0WNR1P) |
| Chemical Name | Methyl 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate |
| IUPAC Name | methyl 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate |
| InChI | InChI=1S/C12H12FNO3/c1-17-12(16)8-6-11(15)14(7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3 |
| InChI Key | YTJWOGDOCWTOTL-UHFFFAOYSA-N |
| MDL Number | MFCD01002228 |
| Molecular Formula | C12H12FNO3 |
| Molecular Weight | 237.2270 |
| SMILES | COC(=O)C1CN(C(=O)C1)C1=CC=C(F)C=C1 |
| Synonyms | methyl 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate,
133747-62-3,
C12H12FNO3,
1-(4-fluorophenyl)-4-methoxycarbonyl-2-pyrrolidinone,
AC1MH0CS,
Oprea1_472888,
Oprea1_666855,
SCHEMBL2215736,
YTJWOGDOCWTOTL-UHFFFAOYSA-N,
STK045857,
AKOS000615186,
AKOS022082736,
BS-9810,
MCULE-6951206135,
BAS 00447848,
Z9727,
K-4203,
ZINC00323409,
CID2969493,
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| Complexity | 313 |
| 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
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Certificate of Analysis
Lot Number