| CAS Number | 479690-12-5 |
| Catalog Number | AG01B24Z(AGN-PC-0BZ589) |
| Chemical Name | Methyl 2-[(2,4-difluorophenyl)carbamoyl]acetate |
| IUPAC Name | methyl 3-(2,4-difluoroanilino)-3-oxopropanoate |
| InChI | InChI=1S/C10H9F2NO3/c1-16-10(15)5-9(14)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,14) |
| InChI Key | WUYRYPMGEJJAHJ-UHFFFAOYSA-N |
| MDL Number | MFCD20130355 |
| Molecular Formula | C10H9F2NO3 |
| Molecular Weight | 229.1802 |
| SMILES | COC(CC(NC1=C(F)C=C(F)C=C1)=O)=O |
| Synonyms | methyl 2-[(2,4-difluorophenyl)carbamoyl]acetate,
479690-12-5,
SCHEMBL13860775,
ZINC71780602,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.183g/mol |
| Monoisotopic Mass | 229.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number