| CAS Number | 51337-08-7 |
| Catalog Number | AG01B6EW |
| Chemical Name | 2-amino-1-(3,4-difluorophenyl)ethan-1-ol hydrochloride |
| IUPAC Name | 2-amino-1-(3,4-difluorophenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C8H9F2NO.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3,8,12H,4,11H2;1H |
| InChI Key | LALUSKXGSAYYSN-UHFFFAOYSA-N |
| MDL Number | MFCD09831940 |
| Molecular Formula | C8H10ClF2NO |
| Molecular Weight | 209.6209 |
| SMILES | Cl.FC1=CC=C(C=C1F)C(O)CN |
| Synonyms | 2-amino-1-(3,4-difluorophenyl)ethan-1-ol hydrochloride,
51337-08-7,
2-Amino-1-(3,4-difluorophenyl)ethanol HCl,
394A441,
2-Amino-1-(3,4-difluoro-phenyl)-ethanol hydrochloride,
10145-04-7,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.621g/mol |
| Monoisotopic Mass | 209.042g/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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Certificate of Analysis
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