| CAS Number | 730951-36-7 |
| Catalog Number | AG019IB2 |
| Chemical Name | ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate |
| IUPAC Name | ethyl 3-[(2-chloroacetyl)amino]-5-phenylthiophene-2-carboxylate |
| InChI | InChI=1S/C15H14ClNO3S/c1-2-20-15(19)14-11(17-13(18)9-16)8-12(21-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,18) |
| InChI Key | DNNFQRZAVJIYQW-UHFFFAOYSA-N |
| MDL Number | MFCD04621694 |
| Molecular Formula | C15H14ClNO3S |
| Molecular Weight | 323.7946 |
| SMILES | CCOC(C1=C(NC(CCl)=O)C=C(C2=CC=CC=C2)S1)=O |
| Synonyms | ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate,
730951-36-7,
3-(2-Chloro-acetylamino)-5-phenyl-thiophene-2-carboxylic acid ethyl ester,
AC1M69OG,
AC1Q33E9,
CTK6F7951,
ZINC3278531,
SBB078071,
AKOS000122325,
MCULE-1308892919,
NE17689,
EN300-06223,
ethyl 3-(2-chloroacetylamino)-5-phenylthiophene-2-carboxylate,
ethyl 3-[(2-chloroacetyl)amino]-5-phenylthiophene-2-carboxylate,
ZINC03278531,
CID2394023,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.791g/mol |
| Monoisotopic Mass | 323.038g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number