| CAS Number | 1156750-86-5 |
| Catalog Number | AG019SRI |
| Chemical Name | N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide |
| IUPAC Name | N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide |
| InChI | InChI=1S/C11H12ClNO3/c1-4-11(14)13-8-6-9(15-2)7(12)5-10(8)16-3/h4-6H,1H2,2-3H3,(H,13,14) |
| InChI Key | GTYYMWHDASHQOO-UHFFFAOYSA-N |
| MDL Number | MFCD00594093 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | COC1=C(Cl)C=C(OC)C(NC(C=C)=O)=C1 |
| Synonyms | N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide,
1156750-86-5,
EN300-94657,
ZINC36334201,
AKOS008137282,
MCULE-9775829185,
NE11603,
VS-0100,
Z1270207950,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number