| CAS Number | 1183046-17-4 |
| Catalog Number | AG019VPT(AGN-PC-0WOBAC) |
| Chemical Name | N-[(4-bromothiophen-2-yl)methyl]-2-chloro-N-methylacetamide |
| IUPAC Name | N-[(4-bromothiophen-2-yl)methyl]-2-chloro-N-methylacetamide |
| InChI | InChI=1S/C8H9BrClNOS/c1-11(8(12)3-10)4-7-2-6(9)5-13-7/h2,5H,3-4H2,1H3 |
| InChI Key | YRIFBTFJOFKIJM-UHFFFAOYSA-N |
| MDL Number | MFCD12798925 |
| Molecular Formula | C8H9BrClNOS |
| Molecular Weight | 282.5852 |
| SMILES | CN(C(CCl)=O)CC1SC=C(Br)C=1 |
| Synonyms | N-[(4-bromothiophen-2-yl)methyl]-2-chloro-N-methylacetamide,
1183046-17-4,
ZINC37654219,
AKOS010025675,
NE20013,
EN300-48012,
Z1562125990,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.58g/mol |
| Monoisotopic Mass | 280.928g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number