| CAS Number | 731012-02-5 |
| Catalog Number | AG019J3H(AGN-PC-0LNJ1V) |
| Chemical Name | 2-Chloro-N-[2-(4-fluorophenyl)ethyl]propanamide |
| IUPAC Name | 2-chloro-N-[2-(4-fluorophenyl)ethyl]propanamide |
| InChI | InChI=1S/C11H13ClFNO/c1-8(12)11(15)14-7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15) |
| InChI Key | WOWKFKLKYPRKOR-UHFFFAOYSA-N |
| MDL Number | MFCD04626520 |
| Molecular Formula | C11H13ClFNO |
| Molecular Weight | 229.6784 |
| SMILES | CC(C(NCCC1=CC=C(F)C=C1)=O)Cl |
| Synonyms | 2-chloro-N-[2-(4-fluorophenyl)ethyl]propanamide,
731012-02-5,
AC1Q2AYU,
AC1NP7U3,
CTK6A3271,
AKOS000122404,
AKOS016881144,
MCULE-5938599888,
NE18781,
EN300-08470,
SR-01000047894,
SR-01000047894-1,
ZINC03887363,
CID5153162,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.679g/mol |
| Monoisotopic Mass | 229.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number