| CAS Number | 126149-36-8 |
| Catalog Number | AG018RVR(AGN-PC-0WBPX7) |
| Chemical Name | 2-chloro-N-[2-(thiophen-2-yl)ethyl]propanamide |
| IUPAC Name | 2-chloro-N-(2-thiophen-2-ylethyl)propanamide |
| InChI | InChI=1S/C9H12ClNOS/c1-7(10)9(12)11-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,12) |
| InChI Key | LQONMZBNDVUHIC-UHFFFAOYSA-N |
| MDL Number | MFCD06655767 |
| Molecular Formula | C9H12ClNOS |
| Molecular Weight | 217.7157 |
| SMILES | CC(C(NCCC1SC=CC=1)=O)Cl |
| Synonyms | 2-chloro-N-[2-(thiophen-2-yl)ethyl]propanamide,
126149-36-8,
2-chloro-N-(2-thien-2-ylethyl)propanamide,
AC1NLQHJ,
AC1Q2AYW,
SCHEMBL9208913,
CTK7F4381,
AKOS000263278,
AKOS017273895,
MCULE-9061621630,
NE13384,
UPCMLD0ENAT5361188:001,
2-chloro-N-(2-thiophen-2-ylethyl)propanamide,
EN300-13283,
F8881-0922,
ZINC04206390,
CID4962340,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.711g/mol |
| Monoisotopic Mass | 217.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number