| CAS Number | 1551295-22-7 |
| Catalog Number | AG01B6TY |
| Chemical Name | 2-Bromo-2-cyclopropylacetonitrile |
| IUPAC Name | 2-bromo-2-cyclopropylacetonitrile |
| InChI | InChI=1S/C5H6BrN/c6-5(3-7)4-1-2-4/h4-5H,1-2H2 |
| InChI Key | VQBHWDFLINNKOF-UHFFFAOYSA-N |
| MDL Number | MFCD25986814 |
| Molecular Formula | C5H6BrN |
| Molecular Weight | 160.0118 |
| SMILES | BrC(C1CC1)C#N |
| Synonyms | 2-bromo-2-cyclopropylacetonitrile,
1551295-22-7,
SCHEMBL17451580,
AKOS021412089,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.014g/mol |
| Monoisotopic Mass | 158.968g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number