| CAS Number | 1181459-03-9 |
| Catalog Number | AG019VDK |
| Chemical Name | ethyl 2-cyano-3-{[4-(difluoromethoxy)phenyl]amino}prop-2-enoate |
| IUPAC Name | ethyl 2-cyano-3-[4-(difluoromethoxy)anilino]prop-2-enoate |
| InChI | InChI=1S/C13H12F2N2O3/c1-2-19-12(18)9(7-16)8-17-10-3-5-11(6-4-10)20-13(14)15/h3-6,8,13,17H,2H2,1H3 |
| InChI Key | LMOXYQZLDSIJAC-UHFFFAOYSA-N |
| MDL Number | MFCD12197132 |
| Molecular Formula | C13H12F2N2O3 |
| Molecular Weight | 282.2428 |
| SMILES | CCOC(C(C#N)=CNC1=CC=C(OC(F)F)C=C1)=O |
| Synonyms | ethyl 2-cyano-3-{[4-(difluoromethoxy)phenyl]amino}prop-2-enoate,
1181459-03-9,
CTK6F2749,
CTK8F9534,
AKOS030699760,
MCULE-9253998308,
ethyl (2Z)-2-cyano-3-{[4-(difluoromethoxy)phenyl]amino}prop-2-enoate,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.247g/mol |
| Monoisotopic Mass | 282.082g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number