| CAS Number | 1909337-42-3 |
| Catalog Number | AG01C1J5 |
| Chemical Name | 1-(Bromomethyl)cyclobutane-1-carbonitrile |
| IUPAC Name | 1-(bromomethyl)cyclobutane-1-carbonitrile |
| InChI | InChI=1S/C6H8BrN/c7-4-6(5-8)2-1-3-6/h1-4H2 |
| InChI Key | NMERHTBBQWPUKW-UHFFFAOYSA-N |
| MDL Number | MFCD29047333 |
| Molecular Formula | C6H8BrN |
| Molecular Weight | 174.0384 |
| SMILES | BrCC1(CCC1)C#N |
| Synonyms | 1-(bromomethyl)cyclobutane-1-carbonitrile,
1909337-42-3,
SCHEMBL19093846,
ZINC299805420,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.041g/mol |
| Monoisotopic Mass | 172.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number