| CAS Number | 32460-11-0 |
| Catalog Number | AG01DX62 |
| Chemical Name | 3-bromofuran-2-carbonitrile |
| IUPAC Name | 3-bromofuran-2-carbonitrile |
| InChI | InChI=1S/C5H2BrNO/c6-4-1-2-8-5(4)3-7/h1-2H |
| InChI Key | PKBHDRWOPSSOIV-UHFFFAOYSA-N |
| MDL Number | MFCD28678121 |
| Molecular Formula | C5H2BrNO |
| Molecular Weight | 171.9795 |
| SMILES | BrC1=C(C#N)OC=C1 |
| Synonyms | 3-bromofuran-2-carbonitrile,
32460-11-0,
2-Furancarbonitrile, 3-bromo-,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.932g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.981g/mol |
| Monoisotopic Mass | 170.932g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number