| CAS Number | 1820603-68-6 |
| Catalog Number | AG00I0FU(AGN-PC-0WQZW8) |
| Chemical Name | 3-(Trifluoromethoxy)-dl-phenylglycine HCl |
| IUPAC Name | 2-amino-2-[3-(trifluoromethoxy)phenyl]acetic acid;hydrochloride |
| InChI | InChI=1S/C9H8F3NO3.ClH/c10-9(11,12)16-6-3-1-2-5(4-6)7(13)8(14)15;/h1-4,7H,13H2,(H,14,15);1H |
| InChI Key | DXJPAFWHCBBMEQ-UHFFFAOYSA-N |
| MDL Number | MFCD28369588 |
| Molecular Formula | C9H9ClF3NO3 |
| Molecular Weight | 271.6209 |
| SMILES | NC(c1cccc(c1)OC(F)(F)F)C(=O)O.Cl |
| Synonyms | 3-(Trifluoromethoxy)-dl-phenylglycine HCl,
1820603-68-6,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.62g/mol |
| Monoisotopic Mass | 271.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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