| CAS Number | 144367-60-2 |
| Catalog Number | AG019VWQ(AGN-PC-07HC5X) |
| Chemical Name | ethyl 2-cyano-3-[(2,3,4-trifluorophenyl)amino]prop-2-enoate |
| IUPAC Name | ethyl 2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enoate |
| InChI | InChI=1S/C12H9F3N2O2/c1-2-19-12(18)7(5-16)6-17-9-4-3-8(13)10(14)11(9)15/h3-4,6,17H,2H2,1H3 |
| InChI Key | JISHJNKMEZITCN-UHFFFAOYSA-N |
| MDL Number | MFCD13409684 |
| Molecular Formula | C12H9F3N2O2 |
| Molecular Weight | 270.2073 |
| SMILES | CCOC(C(C#N)=CNC1=C(F)C(F)=C(F)C=C1)=O |
| Synonyms | ethyl 2-cyano-3-[(2,3,4-trifluorophenyl)amino]prop-2-enoate,
144367-60-2,
CTK6F2746,
AKOS033116943,
MCULE-9363795426,
Z115490172,
ethyl (2Z)-2-cyano-3-[(2,3,4-trifluorophenyl)amino]prop-2-enoate,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.211g/mol |
| Monoisotopic Mass | 270.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number