| CAS Number | 1965304-92-0 |
| Catalog Number | AG01F82W(AGN-PC-3H498N) |
| Chemical Name | Ethyl 2-(3-nitrophenyl)-4-phenylthiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C18H14N2O4S/c1-2-24-18(21)16-15(12-7-4-3-5-8-12)19-17(25-16)13-9-6-10-14(11-13)20(22)23/h3-11H,2H2,1H3 |
| InChI Key | QVTFOJXMZBQREU-UHFFFAOYSA-N |
| MDL Number | MFCD28166213 |
| Molecular Formula | C18H14N2O4S |
| Molecular Weight | 354.3798 |
| SMILES | CCOC(=O)c1sc(nc1c1ccccc1)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | Ethyl 2-(3-nitrophenyl)-4-phenylthiazole-5-carboxylate,
1965304-92-0,
ZINC219038875,
Ethyl 2-(3-nitrophenyl)thiazole-5-carboxylate, AldrichCPR,
|
| Complexity | 478 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.38g/mol |
| Monoisotopic Mass | 354.067g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number