| CAS Number | 1909312-93-1 |
| Catalog Number | AG01C29E |
| Chemical Name | ethyl 5-(2,6-difluorophenyl)-1,3,4-thiadiazole-2-carboxylate |
| IUPAC Name | ethyl 5-(2,6-difluorophenyl)-1,3,4-thiadiazole-2-carboxylate |
| InChI | InChI=1S/C11H8F2N2O2S/c1-2-17-11(16)10-15-14-9(18-10)8-6(12)4-3-5-7(8)13/h3-5H,2H2,1H3 |
| InChI Key | PXKIXTRHHHAQOE-UHFFFAOYSA-N |
| MDL Number | MFCD29762695 |
| Molecular Formula | C11H8F2N2O2S |
| Molecular Weight | 270.2552 |
| SMILES | CCOC(C1SC(C2=C(F)C=CC=C2F)=NN=1)=O |
| Synonyms | 1909312-93-1,
ethyl 5-(2,6-difluorophenyl)-1,3,4-thiadiazole-2-carboxylate,
AKOS033866497,
ZINC328579583,
Z2327883536,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.254g/mol |
| Monoisotopic Mass | 270.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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