| CAS Number | 793727-52-3 |
| Catalog Number | AG019NOM(AGN-PC-0WO0U1) |
| Chemical Name | 2-Chloro-N-[1-(thiophen-2-yl)ethyl]acetamide |
| IUPAC Name | 2-chloro-N-(1-thiophen-2-ylethyl)acetamide |
| InChI | InChI=1S/C8H10ClNOS/c1-6(10-8(11)5-9)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11) |
| InChI Key | VRCUYEBCUHAHLH-UHFFFAOYSA-N |
| MDL Number | MFCD06364951 |
| Molecular Formula | C8H10ClNOS |
| Molecular Weight | 203.6891 |
| SMILES | CC(C1SC=CC=1)NC(CCl)=O |
| Synonyms | 2-chloro-N-[1-(thiophen-2-yl)ethyl]acetamide,
2-chloro-N-(1-thien-2-ylethyl)acetamide,
793727-52-3,
AC1NLPCQ,
AC1Q2BJ8,
CTK6H5270,
AKOS008967708,
MCULE-9043652284,
NE13235,
2-chloro-N-(1-thiophen-2-ylethyl)acetamide,
EN300-11366,
SR-01000060255,
SR-01000060255-1,
ZINC03445780,
CID4961595,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.684g/mol |
| Monoisotopic Mass | 203.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number