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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1COC(CN1C2=NC3=C(O2)C=CC(=C3)Cl)CN.Cl.Cl |
|---|---|
| IUPAC Name | [4-(5-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]methanamine;dihydrochloride |
| InChIKey | IDDWKBLHFFDDEO-UHFFFAOYSA-N |
| INCHI | 1S/C12H14ClN3O2.2ClH/c13-8-1-2-11-10(5-8)15-12(18-11)16-3-4-17-9(6-14)7-16;;/h1-2,5,9H,3-4,6-7,14H2;2*1H |
| Molecular Weight | 340.600 |
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View spec sheet →| Molecular Weight | 340.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 339.031 Da |
| Monoisotopic Mass | 339.031 Da |
| Topological Polar Surface Area | 64.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |