| CAS Number | 2107921-28-6 |
| Catalog Number | AG01EJSP |
| Chemical Name | 2-[2-methyl-4-(trifluoromethyl)furan-3-yl]acetonitrile |
| IUPAC Name | 2-[2-methyl-4-(trifluoromethyl)furan-3-yl]acetonitrile |
| InChI | InChI=1S/C8H6F3NO/c1-5-6(2-3-12)7(4-13-5)8(9,10)11/h4H,2H2,1H3 |
| InChI Key | JWMISDNJZFDYHS-UHFFFAOYSA-N |
| MDL Number | MFCD31665887 |
| Molecular Formula | C8H6F3NO |
| Molecular Weight | 189.1345 |
| SMILES | CC1=C(CC#N)C(C(F)(F)F)=CO1 |
| Synonyms | 2-[2-methyl-4-(trifluoromethyl)furan-3-yl]acetonitrile,
2107921-28-6,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.137g/mol |
| Monoisotopic Mass | 189.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number