| CAS Number | 285138-55-8 |
| Catalog Number | AG019PPL(AGN-PC-0R45LZ) |
| Chemical Name | Ethyl 5-(2-chloroacetamido)-3-methylthiophene-2-carboxylate |
| IUPAC Name | ethyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2-carboxylate |
| InChI | InChI=1S/C10H12ClNO3S/c1-3-15-10(14)9-6(2)4-8(16-9)12-7(13)5-11/h4H,3,5H2,1-2H3,(H,12,13) |
| InChI Key | AJXUXSZIUVZKPC-UHFFFAOYSA-N |
| MDL Number | MFCD09396667 |
| Molecular Formula | C10H12ClNO3S |
| Molecular Weight | 261.7252 |
| SMILES | CCOC(C1=C(C)C=C(NC(CCl)=O)S1)=O |
| Synonyms | ethyl 5-(2-chloroacetamido)-3-methylthiophene-2-carboxylate,
285138-55-8,
ethyl 5-[(chloroacetyl)amino]-3-methylthiophene-2-carboxylate,
AC1Q32AP,
CTK6F7930,
SBB078295,
ZINC12505038,
AKOS005137300,
MCULE-5151043045,
NE14263,
UPCMLD0ENAT5887666:001,
EN300-24664,
ethyl 5-(2-chloroacetylamino)-3-methylthiophene-2-carboxylate,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.72g/mol |
| Monoisotopic Mass | 261.023g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number