| CAS Number | 65865-27-2 |
| Catalog Number | AG01C8G1(AGN-PC-0OFGUM) |
| Chemical Name | 5-(trifluoromethyl)furan-2-carbonitrile |
| IUPAC Name | 5-(trifluoromethyl)furan-2-carbonitrile |
| InChI | InChI=1S/C6H2F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H |
| InChI Key | AOHPUOFCTXGLBJ-UHFFFAOYSA-N |
| MDL Number | MFCD22492836 |
| Molecular Formula | C6H2F3NO |
| Molecular Weight | 161.0814 |
| SMILES | FC(C1OC(C#N)=CC=1)(F)F |
| Synonyms | 5-(trifluoromethyl)furan-2-carbonitrile,
65865-27-2,
2-Furancarbonitrile, 5-(trifluoromethyl)-,
2-cyano-5-trifluoromethylfuran,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.083g/mol |
| Monoisotopic Mass | 161.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number