| CAS Number | 2019997-43-2 |
| Catalog Number | AG01ALQW |
| Chemical Name | 1-ethyl-3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
| IUPAC Name | 1-ethyl-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI | InChI=1S/C12H21BN2O2/c1-7-15-8-10(9(2)14-15)13-16-11(3,4)12(5,6)17-13/h8H,7H2,1-6H3 |
| InChI Key | XSOLSBSVCSWTEM-UHFFFAOYSA-N |
| MDL Number | MFCD23740618 |
| Molecular Formula | C12H21BN2O2 |
| Molecular Weight | 236.1183 |
| SMILES | CC1(C)C(C)(C)OB(C2=CN(CC)N=C2C)O1 |
| Synonyms | 2019997-43-2,
1-ethyl-3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
1-Ethyl-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
MFCD23740618,
AKOS018218193,
ZINC211226460,
MCULE-1586344654,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.122g/mol |
| Monoisotopic Mass | 236.17g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number