| CAS Number | 1156595-98-0 |
| Catalog Number | AG019KPM |
| Chemical Name | N-(2-tert-butylphenyl)-2-chloropropanamide |
| IUPAC Name | N-(2-tert-butylphenyl)-2-chloropropanamide |
| InChI | InChI=1S/C13H18ClNO/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4/h5-9H,1-4H3,(H,15,16) |
| InChI Key | PUOBJXKRIYIOJT-UHFFFAOYSA-N |
| MDL Number | MFCD12147724 |
| Molecular Formula | C13H18ClNO |
| Molecular Weight | 239.7411 |
| SMILES | CC(C(NC1=C(C(C)(C)C)C=CC=C1)=O)Cl |
| Synonyms | N-(2-tert-butylphenyl)-2-chloropropanamide,
1156595-98-0,
AKOS009128827,
NE58048,
|
| Complexity | 247 |
| 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 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number