| CAS Number | 41929-78-6 |
| Catalog Number | AG00CLF3 |
| Chemical Name | 2-Bromobutanenitrile |
| IUPAC Name | 2-bromobutanenitrile |
| InChI | InChI=1S/C4H6BrN/c1-2-4(5)3-6/h4H,2H2,1H3 |
| InChI Key | CIBGXJVJPZCMFX-UHFFFAOYSA-N |
| MDL Number | MFCD17170044 |
| Molecular Formula | C4H6BrN |
| Molecular Weight | 148.0011 |
| SMILES | CCC(C#N)Br |
| Synonyms | 2-bromobutanenitrile,
41929-78-6,
bromobutyronitrile,
2-bromobutyronitrile,
alpha-bromobutyronitrile,
SCHEMBL239357,
DTXSID10525052,
CIBGXJVJPZCMFX-UHFFFAOYSA-N,
AKOS015899534,
DB-024420,
FT-0768968,
I14-11228,
A6883,
|
| Complexity | 70.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.003g/mol |
| Monoisotopic Mass | 146.968g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number