| CAS Number | 1936719-70-8 |
| Catalog Number | AG01DW4L |
| Chemical Name | 2-[4-(trifluoromethyl)furan-2-yl]acetonitrile |
| IUPAC Name | 2-[4-(trifluoromethyl)furan-2-yl]acetonitrile |
| InChI | InChI=1S/C7H4F3NO/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1H2 |
| InChI Key | PRIIHSNDTCPETH-UHFFFAOYSA-N |
| MDL Number | MFCD28553618 |
| Molecular Formula | C7H4F3NO |
| Molecular Weight | 175.1080 |
| SMILES | FC(C1C=C(CC#N)OC=1)(F)F |
| Synonyms | 2-[4-(trifluoromethyl)furan-2-yl]acetonitrile,
1936719-70-8,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.11g/mol |
| Monoisotopic Mass | 175.024g/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