| CAS Number | 1248985-24-1 |
| Catalog Number | AG01A5G1(AGN-PC-0WO9RW) |
| Chemical Name | 2-[(2,2,2-Trifluoroethyl)carbamoyl]acetic acid |
| IUPAC Name | 3-oxo-3-(2,2,2-trifluoroethylamino)propanoic acid |
| InChI | InChI=1S/C5H6F3NO3/c6-5(7,8)2-9-3(10)1-4(11)12/h1-2H2,(H,9,10)(H,11,12) |
| InChI Key | ZXEJBJWBNWGDRT-UHFFFAOYSA-N |
| MDL Number | MFCD16692584 |
| Molecular Formula | C5H6F3NO3 |
| Molecular Weight | 185.1012 |
| SMILES | OC(CC(NCC(F)(F)F)=O)=O |
| Synonyms | 2-[(2,2,2-trifluoroethyl)carbamoyl]acetic acid,
1248985-24-1,
SCHEMBL3903991,
ZINC50916283,
AKOS011513286,
MCULE-6027759794,
NE33542,
Z1623872326,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.029978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.1g/mol |
| Monoisotopic Mass | 185.029978g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number