| CAS Number | 1486953-68-7 |
| Catalog Number | AG01AJN0(AGN-PC-0WOM8O) |
| Chemical Name | 2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}(2,2,2-trifluoroethyl)amino)acetic acid |
| IUPAC Name | 2-[9H-fluoren-9-ylmethoxycarbonyl(2,2,2-trifluoroethyl)amino]acetic acid |
| InChI | InChI=1S/C19H16F3NO4/c20-19(21,22)11-23(9-17(24)25)18(26)27-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,24,25) |
| InChI Key | XRLGIXQTAKEMSI-UHFFFAOYSA-N |
| MDL Number | MFCD21647512 |
| Molecular Formula | C19H16F3NO4 |
| Molecular Weight | 379.3298 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N(CC(=O)O)CC(F)(F)F |
| Synonyms | N-Fmoc-N-(2,2,2-trifluoroethyl)glycine,
1486953-68-7,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl](2,2,2-trifluoroethyl)amino}acetic acid,
AKOS017496559,
|
| Complexity | 532 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.335g/mol |
| Monoisotopic Mass | 379.103g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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