| CAS Number | 1181467-86-6 |
| Catalog Number | AG019VWO |
| Chemical Name | ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate |
| IUPAC Name | ethyl 3-(2-chloro-4-fluoroanilino)-2-cyanoprop-2-enoate |
| InChI | InChI=1S/C12H10ClFN2O2/c1-2-18-12(17)8(6-15)7-16-11-4-3-9(14)5-10(11)13/h3-5,7,16H,2H2,1H3 |
| InChI Key | LZOSDKFWEZPOPE-UHFFFAOYSA-N |
| MDL Number | MFCD13409686 |
| Molecular Formula | C12H10ClFN2O2 |
| Molecular Weight | 268.6714 |
| SMILES | CCOC(C(C#N)=CNC1=C(Cl)C=C(F)C=C1)=O |
| Synonyms | ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate,
1181467-86-6,
ethyl (2Z)-3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate,
CTK6F2750,
CTK8F9535,
AKOS030633934,
MCULE-9302709959,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.672g/mol |
| Monoisotopic Mass | 268.041g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number