| CAS Number | 1251456-87-7 |
| Catalog Number | AG000N94(AGN-PC-0WCY17) |
| Chemical Name | 2-Propenamide, N-(2-chloro-4-formyl-5-methoxyphenyl)- |
| IUPAC Name | N-(2-chloro-4-formyl-5-methoxyphenyl)prop-2-enamide |
| InChI | InChI=1S/C11H10ClNO3/c1-3-11(15)13-9-5-10(16-2)7(6-14)4-8(9)12/h3-6H,1H2,2H3,(H,13,15) |
| InChI Key | KWETWUODKYSYSJ-UHFFFAOYSA-N |
| MDL Number | MFCD29059080 |
| Molecular Formula | C11H10ClNO3 |
| Molecular Weight | 239.6550 |
| SMILES | C=CC(NC1=CC(OC)=C(C=O)C=C1Cl)=O |
| Synonyms | N-(2-Chloro-4-formyl-5-methoxyphenyl)acrylamide,
1251456-87-7,
SCHEMBL630906,
KWETWUODKYSYSJ-UHFFFAOYSA-N,
MFCD29059080,
ZINC114271981,
2-Propenamide, N-(2-chloro-4-formyl-5-methoxyphenyl)-,
N-[2-chloro-4-formyl-5-(methyloxy)phenyl]-2-propenamide,
ACN-037481,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.655g/mol |
| Monoisotopic Mass | 239.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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