| CAS Number | 949791-75-7 |
| Catalog Number | AG01ELYL |
| Chemical Name | 3-(4-chlorophenyl)-3-(ethylamino)prop-2-enenitrile |
| IUPAC Name | 3-(4-chlorophenyl)-3-(ethylamino)prop-2-enenitrile |
| InChI | InChI=1S/C11H11ClN2/c1-2-14-11(7-8-13)9-3-5-10(12)6-4-9/h3-7,14H,2H2,1H3 |
| InChI Key | ROLPWUVGLLOROI-UHFFFAOYSA-N |
| MDL Number | MFCD09802142 |
| Molecular Formula | C11H11ClN2 |
| Molecular Weight | 206.6714 |
| SMILES | CCNC(C1=CC=C(Cl)C=C1)=CC#N |
| Synonyms | 3-(4-chlorophenyl)-3-(ethylamino)prop-2-enenitrile,
949791-75-7,
CTK6F1883,
AKOS034054007,
MCULE-2011867888,
Z285139214,
3-(4-chlorophenyl)-3-(ethylamino)acrylonitrile,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.673g/mol |
| Monoisotopic Mass | 206.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number