| CAS Number | 1306604-58-9 |
| Catalog Number | AG01AI6W |
| Chemical Name | 1-amino-2-(2,4-difluorophenyl)propan-2-ol hydrochloride |
| IUPAC Name | 1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride |
| InChI | InChI=1S/C9H11F2NO.ClH/c1-9(13,5-12)7-3-2-6(10)4-8(7)11;/h2-4,13H,5,12H2,1H3;1H |
| InChI Key | LNVDZHMIZRVSGM-UHFFFAOYSA-N |
| MDL Number | MFCD18838901 |
| Molecular Formula | C9H12ClF2NO |
| Molecular Weight | 223.6475 |
| SMILES | Cl.CC(C1=C(F)C=C(F)C=C1)(CN)O |
| Synonyms | 1-amino-2-(2,4-difluorophenyl)propan-2-ol hydrochloride,
1306604-58-9,
MCULE-9930615171,
NE25219,
EN300-76859,
Z1267881673,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.648g/mol |
| Monoisotopic Mass | 223.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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