| CAS Number | 148021-84-5 |
| Catalog Number | AG00AS9F(AGN-PC-0Q17K8) |
| Chemical Name | (2S)-2-Amino-3-(2-fluorophenyl)propan-1-ol |
| IUPAC Name | (2S)-2-amino-3-(2-fluorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H12FNO/c10-9-4-2-1-3-7(9)5-8(11)6-12/h1-4,8,12H,5-6,11H2/t8-/m0/s1 |
| InChI Key | IPENTXMCVYZOPC-QMMMGPOBSA-N |
| MDL Number | MFCD17214632 |
| Molecular Formula | C9H12FNO |
| Molecular Weight | 169.1961 |
| SMILES | OC[C@H](Cc1ccccc1F)N |
| Synonyms | 148021-84-5,
(2S)-2-amino-3-(2-fluorophenyl)propan-1-ol,
(S)-2-Amino-3-(2-fluorophenyl)propan-1-ol,
(S)-b-Amino-2-fluorobenzenepropanol,
SCHEMBL3131950,
IPENTXMCVYZOPC-QMMMGPOBSA-N,
MFCD17214632,
ZINC20268024,
AKOS026673469,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.199g/mol |
| Monoisotopic Mass | 169.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number