| CAS Number | 1156154-87-8 |
| Catalog Number | AG019SZJ |
| Chemical Name | N-(4-chloro-3-cyanophenyl)prop-2-enamide |
| IUPAC Name | N-(4-chloro-3-cyanophenyl)prop-2-enamide |
| InChI | InChI=1S/C10H7ClN2O/c1-2-10(14)13-8-3-4-9(11)7(5-8)6-12/h2-5H,1H2,(H,13,14) |
| InChI Key | NUIRCNOVYZSOEJ-UHFFFAOYSA-N |
| MDL Number | MFCD12091347 |
| Molecular Formula | C10H7ClN2O |
| Molecular Weight | 206.6284 |
| SMILES | ClC1=C(C#N)C=C(NC(C=C)=O)C=C1 |
| Synonyms | N-(4-chloro-3-cyanophenyl)prop-2-enamide,
1156154-87-8,
ZINC36334556,
AKOS008137315,
FCH5402661,
MCULE-5964898300,
NE57757,
VS-0107,
BBV-27041982,
EN300-95590,
Z1272096614,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.629g/mol |
| Monoisotopic Mass | 206.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number