| CAS Number | 1169968-26-6 |
| Catalog Number | AG008SLR |
| Chemical Name | 1-[Amino-(4-fluoro-phenyl)-methyl]-naphthalen-2-ol hydrochloride |
| IUPAC Name | 1-[amino-(4-fluorophenyl)methyl]naphthalen-2-ol;hydrochloride |
| InChI | InChI=1S/C17H14FNO.ClH/c18-13-8-5-12(6-9-13)17(19)16-14-4-2-1-3-11(14)7-10-15(16)20;/h1-10,17,20H,19H2;1H |
| InChI Key | QPAFHLBMJVACNW-UHFFFAOYSA-N |
| MDL Number | MFCD07366596 |
| Molecular Formula | C17H15ClFNO |
| Molecular Weight | 303.7585 |
| SMILES | Fc1ccc(cc1)C(c1c(O)ccc2c1cccc2)N.Cl |
| Synonyms | 1169968-26-6,
1-[Amino-(4-fluoro-phenyl)-methyl]-naphthalen-2-ol hydrochloride,
DTXSID60588733,
MFCD07366596,
AKOS027384592,
AB30977,
PC404507,
T6185,
1-[Amino(4-fluorophenyl)methyl]naphthalen-2-ol--hydrogen chloride (1/1),
1-[Amino-(4-fluorophenyl)methyl]naphthalen-2-ol hydrochloride,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.761g/mol |
| Monoisotopic Mass | 303.083g/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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