| CAS Number | 648408-62-2 |
| Catalog Number | AG00ETHS(AGN-PC-0WG4DI) |
| Chemical Name | ETHYL 2-(2,6-DIFLUOROANILINO)-2-OXOACETATE |
| IUPAC Name | ethyl 2-(2,6-difluoroanilino)-2-oxoacetate |
| InChI | InChI=1S/C10H9F2NO3/c1-2-16-10(15)9(14)13-8-6(11)4-3-5-7(8)12/h3-5H,2H2,1H3,(H,13,14) |
| InChI Key | GWHFTPUKLJFLLU-UHFFFAOYSA-N |
| MDL Number | MFCD00111798 |
| Molecular Formula | C10H9F2NO3 |
| Molecular Weight | 229.1802 |
| SMILES | CCOC(=O)C(=O)NC1=C(C=CC=C1F)F |
| Synonyms | ethyl 2-(2,6-difluoroanilino)-2-oxoacetate,
648408-62-2,
Ethyl 2-((2,6-difluorophenyl)amino)-2-oxoacetate,
AC1MCX9K,
CTK6F3453,
DTXSID50381639,
ZINC2156713,
ZX-AP012929,
MFCD00111798,
SBB097418,
AKOS009157794,
CS-0036732,
ethyl [(2,6-difluorophenyl)carbamoyl]formate,
ethyl [N-(2,6-difluorophenyl)carbamoyl]formate,
ZINC02156713,
CID2780199,
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| Complexity | 263 |
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number