| CAS Number | 1022901-66-1 |
| Catalog Number | AG0093KE(AGN-PC-0WR0GK) |
| Chemical Name | 5-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)penta-2,4-dienenitrile |
| IUPAC Name | 5-(dimethylamino)-2-(2,2,2-trifluoroacetyl)penta-2,4-dienenitrile |
| InChI | InChI=1S/C9H9F3N2O/c1-14(2)5-3-4-7(6-13)8(15)9(10,11)12/h3-5H,1-2H3 |
| InChI Key | QEBYTZVFLQLFRY-UHFFFAOYSA-N |
| MDL Number | MFCD22565645 |
| Molecular Formula | C9H9F3N2O |
| Molecular Weight | 218.1758 |
| SMILES | CN(C)C=CC=C(/C#N)C(=O)C(F)(F)F |
| Synonyms | (2E,4E)-5-(DIMETHYLAMINO)-2-(2,2,2-TRIFLUOROACETYL)PENTA-2,4-DIENENITRILE,
5-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)penta-2,4-dienenitrile,
1022901-66-1,
SCHEMBL3660619,
QEBYTZVFLQLFRY-UHFFFAOYSA-N,
1146961-23-0,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.179g/mol |
| Monoisotopic Mass | 218.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number