| CAS Number | 749907-01-5 |
| Catalog Number | AG019JAR |
| Chemical Name | 2-chloro-N-[2-methyl-6-(propan-2-yl)phenyl]propanamide |
| IUPAC Name | 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide |
| InChI | InChI=1S/C13H18ClNO/c1-8(2)11-7-5-6-9(3)12(11)15-13(16)10(4)14/h5-8,10H,1-4H3,(H,15,16) |
| InChI Key | AKLKTQNAKIHBSY-UHFFFAOYSA-N |
| MDL Number | MFCD06336115 |
| Molecular Formula | C13H18ClNO |
| Molecular Weight | 239.7411 |
| SMILES | CC(C1=C(NC(C(Cl)C)=O)C(C)=CC=C1)C |
| Synonyms | 2-chloro-N-[2-methyl-6-(propan-2-yl)phenyl]propanamide,
2-chloro-N-(2-isopropyl-6-methylphenyl)propanamide,
749907-01-5,
AC1MYN5I,
AC1Q1OCD,
CTK6A3057,
AKOS000199316,
AKOS017268191,
MCULE-6423415819,
NE20502,
EN300-08998,
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide,
ZINC02654626,
CID3859248,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.743g/mol |
| Monoisotopic Mass | 239.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number