| CAS Number | 2095692-22-9 |
| Catalog Number | AG01DTG2 |
| Chemical Name | (2S)-2-AMINO-2-(5-FLUORO-3-METHOXYPHENYL)ETHAN-1-OL HYDROCHLORIDE |
| IUPAC Name | (2S)-2-amino-2-(3-fluoro-5-methoxyphenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C9H12FNO2.ClH/c1-13-8-3-6(9(11)5-12)2-7(10)4-8;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m1./s1 |
| InChI Key | PNBVSZPLTNLKTL-SBSPUUFOSA-N |
| MDL Number | MFCD24422017 |
| Molecular Formula | C9H13ClFNO2 |
| Molecular Weight | 221.6564 |
| SMILES | Cl.N[C@H](CO)C1=CC(=CC(=C1)OC)F |
| Synonyms | SCHEMBL18765760,
2095692-22-9,
(2S)-2-AMINO-2-(5-FLUORO-3-METHOXYPHENYL)ETHAN-1-OL HYDROCHLORIDE,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.656g/mol |
| Monoisotopic Mass | 221.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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