| CAS Number | 1396750-11-0 |
| Catalog Number | AG01BXWC |
| Chemical Name | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1H-pyrazole |
| InChI | InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)7-6(5-15-16-7)10(12,13)14/h5H,1-4H3,(H,15,16) |
| InChI Key | QPTLCZZVVPRCIU-UHFFFAOYSA-N |
| MDL Number | MFCD18250602 |
| Molecular Formula | C10H14BF3N2O2 |
| Molecular Weight | 262.0366 |
| SMILES | FC(C1=CNN=C1B2OC(C)(C)C(C)(C)O2)(F)F |
| Synonyms | 1396750-11-0,
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1H-pyrazole,
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1H-pyrazole,
ZINC206063194,
AB73310,
CS-0091632,
4-TRIFLUOROMETHYL-1H-PYRAZOLE-5-BORONIC ACID PINACOL ESTER,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.039g/mol |
| Monoisotopic Mass | 262.11g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number