| CAS Number | 209540-06-7 |
| Catalog Number | AG01F82Y(AGN-PC-3H4990) |
| Chemical Name | Ethyl 4-methyl-2-(3-nitrophenyl)thiazole-5-carboxylate |
| IUPAC Name | ethyl 4-methyl-2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C13H12N2O4S/c1-3-19-13(16)11-8(2)14-12(20-11)9-5-4-6-10(7-9)15(17)18/h4-7H,3H2,1-2H3 |
| InChI Key | SYCKDQQSHDETSX-UHFFFAOYSA-N |
| MDL Number | MFCD16603019 |
| Molecular Formula | C13H12N2O4S |
| Molecular Weight | 292.3104 |
| SMILES | CCOC(=O)c1sc(nc1C)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | ethyl 4-methyl-2-(3-nitrophenyl)thiazole-5-carboxylate,
209540-06-7,
ZINC48343092,
AKOS008142796,
MCULE-9950983044,
DA-08314,
FT-0718134,
Ethyl 4-methyl-2-(3-nitrophenyl)thiazole-5-carboxylate, AldrichCPR,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.309g/mol |
| Monoisotopic Mass | 292.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number