| CAS Number | 2007916-44-9 |
| Catalog Number | AG01DJFB |
| Chemical Name | 2-((2,6-Bis(trifluoromethyl)phenyl)amino)-2-oxoacetic acid |
| IUPAC Name | 2-[2,6-bis(trifluoromethyl)anilino]-2-oxoacetic acid |
| InChI | InChI=1S/C10H5F6NO3/c11-9(12,13)4-2-1-3-5(10(14,15)16)6(4)17-7(18)8(19)20/h1-3H,(H,17,18)(H,19,20) |
| InChI Key | KAEQSSXKVXBORV-UHFFFAOYSA-N |
| MDL Number | MFCD30472128 |
| Molecular Formula | C10H5F6NO3 |
| Molecular Weight | 301.1420 |
| SMILES | OC(=O)C(=O)Nc1c(cccc1C(F)(F)F)C(F)(F)F |
| Synonyms | 2-((2,6-Bis(trifluoromethyl)phenyl)amino)-2-oxoacetic acid,
2007916-44-9,
MFCD30472128,
AKOS030628426,
ZINC498051071,
N/A,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.144g/mol |
| Monoisotopic Mass | 301.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number