| CAS Number | 1517244-65-3 |
| Catalog Number | AG01F8UB(AGN-PC-3H49AL) |
| Chemical Name | Ethyl 2-(2-(4-nitrophenyl)thiazol-4-yl)acetate |
| IUPAC Name | ethyl 2-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]acetate |
| InChI | InChI=1S/C13H12N2O4S/c1-2-19-12(16)7-10-8-20-13(14-10)9-3-5-11(6-4-9)15(17)18/h3-6,8H,2,7H2,1H3 |
| InChI Key | ZFWIAAZPAIOVIQ-UHFFFAOYSA-N |
| MDL Number | MFCD28166203 |
| Molecular Formula | C13H12N2O4S |
| Molecular Weight | 292.3104 |
| SMILES | CCOC(=O)Cc1csc(n1)c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 1517244-65-3,
Ethyl 2-(2-(4-nitrophenyl)thiazol-4-yl)acetate,
Ethyl 2-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]acetate,
AKOS019140218,
ZINC133807661,
|
| Complexity | 353 |
| 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 | 5 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number