| CAS Number | 39994-98-4 |
| Catalog Number | AG01BF3M(AGN-PC-0WOS01) |
| Chemical Name | 1-Bromocyclobutane-1-carbonitrile |
| IUPAC Name | 1-bromocyclobutane-1-carbonitrile |
| InChI | InChI=1S/C5H6BrN/c6-5(4-7)2-1-3-5/h1-3H2 |
| InChI Key | QZXIMWRBRVXDOY-UHFFFAOYSA-N |
| MDL Number | MFCD25986985 |
| Molecular Formula | C5H6BrN |
| Molecular Weight | 160.0118 |
| SMILES | BrC1(C#N)CCC1 |
| Synonyms | 1-bromocyclobutane-1-carbonitrile,
39994-98-4,
ZINC98096544,
AKOS021413011,
NE42852,
|
| Complexity | 117 |
| 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 | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number