| CAS Number | 790232-13-2 |
| Catalog Number | AG019JAY |
| Chemical Name | 2-Chloro-n-mesitylpropanamide |
| IUPAC Name | 2-chloro-N-(2,4,6-trimethylphenyl)propanamide |
| InChI | InChI=1S/C12H16ClNO/c1-7-5-8(2)11(9(3)6-7)14-12(15)10(4)13/h5-6,10H,1-4H3,(H,14,15) |
| InChI Key | WKCAZHBXIHNJAB-UHFFFAOYSA-N |
| MDL Number | MFCD06356458 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | CC(C(NC1=C(C)C=C(C)C=C1C)=O)Cl |
| Synonyms | 2-chloro-N-(2,4,6-trimethylphenyl)propanamide,
2-chloro-N-mesitylpropanamide,
790232-13-2,
AC1MOJYV,
AC1Q2AUX,
CTK7F4273,
AKOS000117649,
AKOS016874460,
MCULE-9926145642,
NE45659,
EN300-09009,
ZINC03379290,
CID3344809,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.716g/mol |
| Monoisotopic Mass | 225.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number