| CAS Number | 1226365-81-6 |
| Catalog Number | AG01C49L |
| Chemical Name | 1-amino-1-(2-fluorophenyl)propan-2-ol |
| IUPAC Name | 1-amino-1-(2-fluorophenyl)propan-2-ol |
| InChI | InChI=1S/C9H12FNO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9,12H,11H2,1H3 |
| InChI Key | DWXYPVJJOLRWQJ-UHFFFAOYSA-N |
| MDL Number | MFCD16301283 |
| Molecular Formula | C9H12FNO |
| Molecular Weight | 169.1961 |
| SMILES | CC(C(C1=C(F)C=CC=C1)N)O |
| Synonyms | 1-amino-1-(2-fluorophenyl)propan-2-ol,
1226365-81-6,
(1S,2S)-1-amino-1-(2-fluorophenyl)propan-2-ol,
(1S)-1-AMINO-1-(2-FLUOROPHENYL)PROPAN-2-OL,
(1R,2R)-1-AMINO-1-(2-FLUOROPHENYL)PROPAN-2-OL,
(1R,2S)-1-AMINO-1-(2-FLUOROPHENYL)PROPAN-2-OL,
(1S,2R)-1-AMINO-1-(2-FLUOROPHENYL)PROPAN-2-OL,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number