| CAS Number | 648859-97-6 |
| Catalog Number | AG019PO3(AGN-PC-0WO95O) |
| Chemical Name | Ethyl 2-(2-chloroacetamido)thiophene-3-carboxylate |
| IUPAC Name | ethyl 2-[(2-chloroacetyl)amino]thiophene-3-carboxylate |
| InChI | InChI=1S/C9H10ClNO3S/c1-2-14-9(13)6-3-4-15-8(6)11-7(12)5-10/h3-4H,2,5H2,1H3,(H,11,12) |
| InChI Key | RSUIZUGNNHSTOY-UHFFFAOYSA-N |
| MDL Number | MFCD01566315 |
| Molecular Formula | C9H10ClNO3S |
| Molecular Weight | 247.6986 |
| SMILES | CCOC(C1=C(NC(CCl)=O)SC=C1)=O |
| Synonyms | ethyl 2-(2-chloroacetamido)thiophene-3-carboxylate,
648859-97-6,
ethyl 2-[(2-chloroacetyl)amino]thiophene-3-carboxylate,
AC1MCRWE,
AC1Q33F4,
CTK6F6967,
ZINC160068,
MFCD01566315,
AKOS001419644,
MCULE-3063073971,
NE21614,
EN300-24561,
ethyl 2-[(chloroacetyl)amino]thiophene-3-carboxylate,
ZINC00160068,
CID2777684,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.693g/mol |
| Monoisotopic Mass | 247.007g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number