| CAS Number | 105842-89-5 |
| Catalog Number | AG019OU2(AGN-PC-00UX0E) |
| Chemical Name | N-(2-[4-(2-Chloropropanoyl)phenyl]ethyl)acetamide |
| IUPAC Name | N-[2-[4-(2-chloropropanoyl)phenyl]ethyl]acetamide |
| InChI | InChI=1S/C13H16ClNO2/c1-9(14)13(17)12-5-3-11(4-6-12)7-8-15-10(2)16/h3-6,9H,7-8H2,1-2H3,(H,15,16) |
| InChI Key | KVZIMDNIVVWTAC-UHFFFAOYSA-N |
| MDL Number | MFCD07687076 |
| Molecular Formula | C13H16ClNO2 |
| Molecular Weight | 253.7246 |
| SMILES | CC(C(C1=CC=C(CCNC(C)=O)C=C1)=O)Cl |
| Synonyms | N-{2-[4-(2-chloropropanoyl)phenyl]ethyl}acetamide,
105842-89-5,
AC1Q1R3G,
CTK6A1193,
AKOS001171370,
AKOS016892900,
MCULE-7498395383,
NE24910,
EN300-15232,
n-(2-[4-(2-chloropropanoyl)phenyl]ethyl)acetamide,
|
| Complexity | 273 |
| 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 | 5 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number