| CAS Number | 1321848-43-4 |
| Catalog Number | AG00HSM7 |
| Chemical Name | 1-(3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone |
| IUPAC Name | 1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone |
| InChI | InChI=1S/C15H21BO3/c1-10-9-12(11(2)17)7-8-13(10)16-18-14(3,4)15(5,6)19-16/h7-9H,1-6H3 |
| InChI Key | BDASTGOIWOBHGT-UHFFFAOYSA-N |
| MDL Number | MFCD18732916 |
| Molecular Formula | C15H21BO3 |
| Molecular Weight | 260.1364 |
| SMILES | CC=1C=C(C=CC1B1OC(C(O1)(C)C)(C)C)C(C)=O |
| Synonyms | 1321848-43-4,
4-Acetyl-2-methylphenylboronic acid pinacol ester,
1-(3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone,
SCHEMBL12437411,
ZINC170019574,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.14g/mol |
| Monoisotopic Mass | 260.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number