| CAS Number | 1212932-15-4 |
| Catalog Number | AG009Z9R(AGN-PC-0WB00G) |
| Chemical Name | (2S)-2-AMINO-2-(3,5-DIFLUOROPHENYL)ETHAN-1-OL |
| IUPAC Name | (2S)-2-amino-2-(3,5-difluorophenyl)ethanol |
| InChI | InChI=1S/C8H9F2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2/t8-/m1/s1 |
| InChI Key | ROJBFFNJZLJBJI-MRVPVSSYSA-N |
| MDL Number | MFCD09253816 |
| Molecular Formula | C8H9F2NO |
| Molecular Weight | 173.1600 |
| SMILES | [C@H](CO)(N)c1cc(F)cc(c1)F |
| Synonyms | 1212932-15-4,
(S)-2-Amino-2-(3,5-difluorophenyl)ethanol,
(2S)-2-AMINO-2-(3,5-DIFLUOROPHENYL)ETHAN-1-OL,
FCH866352,
MFCD09253816,
ZINC72197364,
AKOS006332330,
AKOS015927680,
AK486775,
AX8297165,
W-3919,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.163g/mol |
| Monoisotopic Mass | 173.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number