| CAS Number | 1803606-87-2 |
| Catalog Number | AG01BF8M |
| Chemical Name | 4-(2-fluoro-3-methoxyphenyl)oxan-4-amine hydrochloride |
| IUPAC Name | 4-(2-fluoro-3-methoxyphenyl)oxan-4-amine;hydrochloride |
| InChI | InChI=1S/C12H16FNO2.ClH/c1-15-10-4-2-3-9(11(10)13)12(14)5-7-16-8-6-12;/h2-4H,5-8,14H2,1H3;1H |
| InChI Key | JUFIBPSSEXODGN-UHFFFAOYSA-N |
| MDL Number | MFCD28118528 |
| Molecular Formula | C12H17ClFNO2 |
| Molecular Weight | 261.7203 |
| SMILES | Cl.COC1=C(F)C(C2(CCOCC2)N)=CC=C1 |
| Synonyms | 4-(2-fluoro-3-methoxyphenyl)oxan-4-amine hydrochloride,
1803606-87-2,
Z2752391296,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.721g/mol |
| Monoisotopic Mass | 261.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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