| CAS Number | 444885-09-0 |
| Catalog Number | AG01B259 |
| Chemical Name | (2-Methylbutyl)boronic acid |
| IUPAC Name | 2-methylbutylboronic acid |
| InChI | InChI=1S/C5H13BO2/c1-3-5(2)4-6(7)8/h5,7-8H,3-4H2,1-2H3 |
| InChI Key | NGHJHHWXNRSHSI-UHFFFAOYSA-N |
| MDL Number | MFCD18861700 |
| Molecular Formula | C5H13BO2 |
| Molecular Weight | 115.9665 |
| SMILES | CCC(C)CB(O)O |
| Synonyms | (2-methylbutyl)boronic acid,
444885-09-0,
AKOS013015553,
|
| Complexity | 56.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.967g/mol |
| Monoisotopic Mass | 116.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number