| CAS Number | 1018295-42-5 |
| Catalog Number | AG0096FS(AGN-PC-0WG4DJ) |
| Chemical Name | 2-((2,6-Difluorophenyl)amino)-2-oxoacetic acid |
| IUPAC Name | 2-(2,6-difluoroanilino)-2-oxoacetic acid |
| InChI | InChI=1S/C8H5F2NO3/c9-4-2-1-3-5(10)6(4)11-7(12)8(13)14/h1-3H,(H,11,12)(H,13,14) |
| InChI Key | XKMPHIMGYLKQKV-UHFFFAOYSA-N |
| MDL Number | MFCD10018517 |
| Molecular Formula | C8H5F2NO3 |
| Molecular Weight | 201.1270 |
| SMILES | C1=CC(=C(C(=C1)F)NC(=O)C(=O)O)F |
| Synonyms | 1018295-42-5,
2-((2,6-Difluorophenyl)amino)-2-oxoacetic acid,
2,6-Difluoroanilino(oxo)acetic acid,
[(2,6-difluorophenyl)carbamoyl]formic acid,
MFCD10018517,
ZINC20185200,
AS-55056,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.129g/mol |
| Monoisotopic Mass | 201.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number