| CAS Number | 37888-15-6 |
| Catalog Number | AG019W4B(AGN-PC-0WO3AA) |
| Chemical Name | 2-{[(2,2,2-trifluoroethoxy)carbonyl]amino}acetic acid |
| IUPAC Name | 2-(2,2,2-trifluoroethoxycarbonylamino)acetic acid |
| InChI | InChI=1S/C5H6F3NO4/c6-5(7,8)2-13-4(12)9-1-3(10)11/h1-2H2,(H,9,12)(H,10,11) |
| InChI Key | NHKPMEUDEOXKQX-UHFFFAOYSA-N |
| MDL Number | MFCD00837268 |
| Molecular Formula | C5H6F3NO4 |
| Molecular Weight | 201.1006 |
| SMILES | OC(CNC(OCC(F)(F)F)=O)=O |
| Synonyms | 2-{[(2,2,2-trifluoroethoxy)carbonyl]amino}acetic acid,
37888-15-6,
CTK7J5248,
AC1Q7614,
ZINC36379641,
AKOS010134163,
MCULE-9603338128,
NE11722,
EN300-50488,
Z1245633939,
2-([(2,2,2-trifluoroethoxy)carbonyl]amino)acetic acid,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.101g/mol |
| Monoisotopic Mass | 201.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number