| CAS Number | 1275469-70-9 |
| Catalog Number | AG01ANC4 |
| Chemical Name | 2-(bromomethyl)butanenitrile |
| IUPAC Name | 2-(bromomethyl)butanenitrile |
| InChI | InChI=1S/C5H8BrN/c1-2-5(3-6)4-7/h5H,2-3H2,1H3 |
| InChI Key | MYGHSIUWISNFEI-UHFFFAOYSA-N |
| MDL Number | MFCD18294600 |
| Molecular Formula | C5H8BrN |
| Molecular Weight | 162.0277 |
| SMILES | CCC(C#N)CBr |
| Synonyms | 2-(bromomethyl)butanenitrile,
1275469-70-9,
SCHEMBL12237923,
AKOS012518046,
|
| Complexity | 81.3 |
| 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 | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number