| CAS Number | 1876473-39-0 |
| Catalog Number | AG01B9Y9(AGN-PC-0WBEJX) |
| Chemical Name | 1-Ethyl-3-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
| IUPAC Name | 1-ethyl-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI | InChI=1S/C12H21BN2O2/c1-7-15-10(8-9(2)14-15)13-16-11(3,4)12(5,6)17-13/h8H,7H2,1-6H3 |
| InChI Key | OEIOIWLEZPKVFD-UHFFFAOYSA-N |
| MDL Number | MFCD24540474 |
| Molecular Formula | C12H21BN2O2 |
| Molecular Weight | 236.1183 |
| SMILES | C(C)N1N=C(C=C1B1OC(C(O1)(C)C)(C)C)C |
| Synonyms | 1876473-39-0,
1-ethyl-3-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
1-ethyl-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
MFCD24540474,
STL415201,
AKOS015921213,
ZINC203600057,
MCULE-7213514039,
|
| 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