| CAS Number | 795290-86-7 |
| Catalog Number | AG00G3UD |
| Chemical Name | N-[4-(2-chloroacetyl)phenyl]-2,2-dimethylpropanamide |
| IUPAC Name | N-[4-(2-chloroacetyl)phenyl]-2,2-dimethylpropanamide |
| InChI | InChI=1S/C13H16ClNO2/c1-13(2,3)12(17)15-10-6-4-9(5-7-10)11(16)8-14/h4-7H,8H2,1-3H3,(H,15,17) |
| InChI Key | JPRPQXWYQYKBOO-UHFFFAOYSA-N |
| MDL Number | MFCD06368748 |
| Molecular Formula | C13H16ClNO2 |
| Molecular Weight | 253.7246 |
| SMILES | CC(C)(C)C(NC1=CC=C(C(CCl)=O)C=C1)=O |
| Synonyms | 795290-86-7,
N-[4-(2-chloroacetyl)phenyl]-2,2-dimethylpropanamide,
N-[4-(chloroacetyl)phenyl]-2,2-dimethylpropanamide,
N-(4-(2-Chloroacetyl)phenyl)pivalamide,
AC1Q1LNY,
AC1M7Q04,
CTK6H4711,
ZINC3330537,
MFCD06368748,
AKOS008967638,
MCULE-9063749178,
NE24818,
EN300-11522,
SR-01000060998,
J-523331,
SR-01000060998-1,
ZINC03330537,
CID2446561,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.726g/mol |
| Monoisotopic Mass | 253.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number