| CAS Number | 148759-25-5 |
| Catalog Number | AG00B172(AGN-PC-0NB4QT) |
| Chemical Name | 2-Furancarbonitrile,5-(bromomethyl)-(9CI) |
| IUPAC Name | 5-(bromomethyl)furan-2-carbonitrile |
| InChI | InChI=1S/C6H4BrNO/c7-3-5-1-2-6(4-8)9-5/h1-2H,3H2 |
| InChI Key | IRWXGDBFGWSFSF-UHFFFAOYSA-N |
| MDL Number | MFCD01821242 |
| Molecular Formula | C6H4BrNO |
| Molecular Weight | 186.0061 |
| SMILES | N#CC1=CC=C(CBr)O1 |
| Synonyms | 5-(bromomethyl)furan-2-carbonitrile,
148759-25-5,
5-Bromomethyl-2-cyanofuran,
SCHEMBL2331180,
IRWXGDBFGWSFSF-UHFFFAOYSA-N,
5-bromomethylfuran-2-carbo-nitrile,
5-Bromomethylfuran-2-carbononitrile,
ZINC34500455,
2-Furancarbonitrile,5-(bromomethyl)-(9CI),
I14-108828,
CID10821395,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.008g/mol |
| Monoisotopic Mass | 184.948g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number