| CAS Number | 306280-84-2 |
| Catalog Number | AG019HP4(AGN-PC-0WCN62) |
| Chemical Name | Ethyl 2-(2-chloroacetamido)-4-(4-fluorophenyl)thiophene-3-carboxylate |
| IUPAC Name | ethyl 2-[(2-chloroacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate |
| InChI | InChI=1S/C15H13ClFNO3S/c1-2-21-15(20)13-11(9-3-5-10(17)6-4-9)8-22-14(13)18-12(19)7-16/h3-6,8H,2,7H2,1H3,(H,18,19) |
| InChI Key | RMQORGRJRGMLIS-UHFFFAOYSA-N |
| MDL Number | MFCD01124469 |
| Molecular Formula | C15H13ClFNO3S |
| Molecular Weight | 341.7850 |
| SMILES | CCOC(C1C(C2=CC=C(F)C=C2)=CSC=1NC(CCl)=O)=O |
| Synonyms | 306280-84-2,
ethyl 2-(2-chloroacetamido)-4-(4-fluorophenyl)thiophene-3-carboxylate,
2-(2-Chloro-acetylamino)-4-(4-fluoro-phenyl)-thiophene-3-carboxylic acid ethyl ester,
ethyl 2-(2-chloroacetylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate,
BAS 00684676,
AC1LDT82,
AC1Q33F9,
CTK6F5657,
ZINC81259,
SBB009374,
STL306481,
AKOS000305519,
MCULE-5888943590,
NE52209,
ST50051632,
EN300-04261,
F0239-0319,
Ethyl 2-(2-chloroacetamido)-4-(4-fluorophenyl)-thiophene-3-carboxylate,
ethyl 2-[(2-chloroacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate,
ethyl 2-[(chloroacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate,
CID700867,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.781g/mol |
| Monoisotopic Mass | 341.029g/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