| CAS Number | 1486485-57-7 |
| Catalog Number | AG01A3LW |
| Chemical Name | 3-Cyclopropyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
| IUPAC Name | 3-cyclopropyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI | InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-11-13(12-8-9-12)19-20(14)15-7-5-6-10-21-15/h11-12,15H,5-10H2,1-4H3 |
| InChI Key | RGWSNXLQKXBYDF-UHFFFAOYSA-N |
| MDL Number | MFCD23144026 |
| Molecular Formula | C17H27BN2O3 |
| Molecular Weight | 318.2189 |
| SMILES | CC1(C(C)(C)OB(C2N(C3OCCCC3)N=C(C3CC3)C=2)O1)C |
| Synonyms | 3-cyclopropyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
1486485-57-7,
NE38277,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.224g/mol |
| Monoisotopic Mass | 318.211g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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