| CAS Number | 1415312-45-6 |
| Catalog Number | AG01B3YF |
| Chemical Name | 2-(Oxan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,2,3-triazole |
| IUPAC Name | 2-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole |
| InChI | InChI=1S/C13H22BN3O3/c1-12(2)13(3,4)20-14(19-12)10-9-15-17(16-10)11-7-5-6-8-18-11/h9,11H,5-8H2,1-4H3 |
| InChI Key | RJLKRDFOUAYHQS-UHFFFAOYSA-N |
| MDL Number | MFCD26521334 |
| Molecular Formula | C13H22BN3O3 |
| Molecular Weight | 279.1431 |
| SMILES | CC1(C)C(C)(C)OB(C2=NN(C3CCCCO3)N=C2)O1 |
| Synonyms | 2-(oxan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,2,3-triazole,
1415312-45-6,
2-(Tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-2H-1,2,3-triazole,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.147g/mol |
| Monoisotopic Mass | 279.175g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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