| CAS Number | 25117-57-1 |
| Catalog Number | AG01DW9P(AGN-PC-0J7HYF) |
| Chemical Name | 2-Bromo-3-methylbutanenitrile |
| IUPAC Name | 2-bromo-3-methylbutanenitrile |
| InChI | InChI=1S/C5H8BrN/c1-4(2)5(6)3-7/h4-5H,1-2H3 |
| InChI Key | BJERBFCIVSSJCS-UHFFFAOYSA-N |
| MDL Number | MFCD20621558 |
| Molecular Formula | C5H8BrN |
| Molecular Weight | 162.0277 |
| SMILES | CC(C(C#N)Br)C |
| Synonyms | 2-bromo-3-methylbutanenitrile,
25117-57-1,
AKOS017529144,
|
| Complexity | 89.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.03g/mol |
| Monoisotopic Mass | 160.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number