| CAS Number | 1030487-72-9 |
| Catalog Number | AG01B24Y |
| Chemical Name | Methyl 2-[(2-fluorophenyl)carbamoyl]acetate |
| IUPAC Name | methyl 3-(2-fluoroanilino)-3-oxopropanoate |
| InChI | InChI=1S/C10H10FNO3/c1-15-10(14)6-9(13)12-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H,12,13) |
| InChI Key | KIXZCYKOFOFHRB-UHFFFAOYSA-N |
| MDL Number | MFCD29991559 |
| Molecular Formula | C10H10FNO3 |
| Molecular Weight | 211.1897 |
| SMILES | COC(CC(NC1=C(F)C=CC=C1)=O)=O |
| Synonyms | methyl 2-[(2-fluorophenyl)carbamoyl]acetate,
1030487-72-9,
ZINC20113875,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.192g/mol |
| Monoisotopic Mass | 211.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number