| CAS Number | 749896-89-7 |
| Catalog Number | AG019JM5 |
| Chemical Name | N-(2-chloro-4,6-dimethylphenyl)-3-oxo-3-phenylpropanamide |
| IUPAC Name | N-(2-chloro-4,6-dimethylphenyl)-3-oxo-3-phenylpropanamide |
| InChI | InChI=1S/C17H16ClNO2/c1-11-8-12(2)17(14(18)9-11)19-16(21)10-15(20)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,21) |
| InChI Key | COOIFIYJPGQGRS-UHFFFAOYSA-N |
| MDL Number | MFCD06335582 |
| Molecular Formula | C17H16ClNO2 |
| Molecular Weight | 301.7674 |
| SMILES | CC1=CC(Cl)=C(NC(CC(C2=CC=CC=C2)=O)=O)C(C)=C1 |
| Synonyms | N-(2-chloro-4,6-dimethylphenyl)-3-oxo-3-phenylpropanamide,
749896-89-7,
AC1MR0I4,
AC1Q2I1K,
MLS001174484,
CHEMBL1511433,
CTK7G4274,
HMS2853L20,
ZINC3887923,
AKOS034446376,
MCULE-4465926770,
NE38295,
SMR000588641,
EN300-09807,
Z55668824,
ZINC03887923,
CID3510474,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.77g/mol |
| Monoisotopic Mass | 301.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number