| CAS Number | 730949-95-8 |
| Catalog Number | AG00FC4K |
| Chemical Name | ethyl 3-amino-5-(2,4-dichlorophenyl)thiophene-2-carboxylate |
| IUPAC Name | ethyl 3-amino-5-(2,4-dichlorophenyl)thiophene-2-carboxylate |
| InChI | InChI=1S/C13H11Cl2NO2S/c1-2-18-13(17)12-10(16)6-11(19-12)8-4-3-7(14)5-9(8)15/h3-6H,2,16H2,1H3 |
| InChI Key | BJLLLDCVKCNFQN-UHFFFAOYSA-N |
| MDL Number | MFCD04621503 |
| Molecular Formula | C13H11Cl2NO2S |
| Molecular Weight | 316.2029 |
| SMILES | O=C(C1=C(N)C=C(C2=CC=C(Cl)C=C2Cl)S1)OCC |
| Synonyms | ethyl 3-amino-5-(2,4-dichlorophenyl)thiophene-2-carboxylate,
730949-95-8,
3-Amino-5-(2,4-dichloro-phenyl)-thiophene-2-carboxylic acid ethyl ester,
AC1M68VO,
AC1Q330M,
CTK6F7941,
ZINC3278071,
MFCD04621503,
SBB078082,
AKOS005136939,
MCULE-1260715257,
NE33852,
EN300-06683,
J-511629,
Z56943470,
ZINC03278071,
CID2393560,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.196g/mol |
| Monoisotopic Mass | 314.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number